Friday, December 2, 2011

All Chemical Compounds Information



Product OPENEYE NAME: [(2R,5R)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid
CAS Name: [(2R,5R)-5-(5-bromo-2,4-dioxo-1-pyrimidinyl)-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid
IUPAC NAME: [(2R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid
SYSTEMATIC NAME: [(2R,5R)-5-[5-bromanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid
MOLECULAR FORMULA: C9H10BrN2O7P
MOLECULAR WEIGHT: 369.062661
SMILES: C1=C[C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)OCP(=O)(O)O
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Product OPENEYE NAME: N-[(1R)-4-guanidino-1-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]butyl]-2,6-bis[[2-(4-phenylphenyl)acetyl]amino]hexanamide
CAS Name: N-[(2R)-5-(diaminomethylideneamino)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxopentan-2-yl]-2,6-bis[[1-oxo-2-(4-phenylphenyl)ethyl]amino]hexanamide
IUPAC NAME: N-[(2R)-5-(diaminomethylideneamino)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxopentan-2-yl]-2,6-bis[[2-(4-phenylphenyl)acetyl]amino]hexanamide
SYSTEMATIC NAME: N-[(2R)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanylidene-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-2,6-bis[2-(4-phenylphenyl)ethanoylamino]hexanamide
MOLECULAR FORMULA: C57H64N8O6
MOLECULAR WEIGHT: 957.16806
SMILES: C1=CC=C(C=C1)CCNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)C(CCCCNC(=O)CC3=CC=C(C=C3)C4=CC=CC=C4)NC(=O)CC5=CC=C(C=C5)C6=CC=CC=C6
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
CAS Name: N-(2,6-dimethylphenyl)-1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]-2-benzimidazolamine
IUPAC NAME: N-(2,6-dimethylphenyl)-1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-1-[4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl]benzimidazol-2-amine
MOLECULAR FORMULA: C27H27N7O3
MOLECULAR WEIGHT: 497.54838
SMILES: CC1=C(C(=CC=C1)C)NC2=NC3=CC=CC=C3N2C4=NC(=NC=N4)NC5=CC(=C(C(=C5)OC)OC)OC
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Product OPENEYE NAME: (4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
CAS Name: (4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC NAME: (4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C26H44O2
MOLECULAR WEIGHT: 388.62636
SMILES: CC[C@H]1C[C@@H]2CCCC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)[C@H](C)CCC(=O)O)C
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Product OPENEYE NAME: [(2R,5R)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid
CAS Name: [(2R,5R)-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid
IUPAC NAME: [(2R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid
SYSTEMATIC NAME: [(2R,5R)-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid
MOLECULAR FORMULA: C9H10FN2O7P
MOLECULAR WEIGHT: 308.157064
SMILES: C1=C[C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)OCP(=O)(O)O
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Product OPENEYE NAME: (4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
CAS Name: (4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC NAME: (4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C25H42O2
MOLECULAR WEIGHT: 374.59978
SMILES: C[C@H]1C[C@@H]2CCCC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)[C@H](C)CCC(=O)O)C
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Product OPENEYE NAME: (2R)-5-guanidino-N-[1-[(4-hydroxyphenyl)methyl]-2-oxo-2-(2-phenylethylamino)ethyl]-2-[[3-[(4-methoxyphenyl)methylsulfanyl]-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]pentanamide
CAS Name: (2R)-5-(diaminomethylideneamino)-N-[3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-2-[[3-[(4-methoxyphenyl)methylthio]-1-oxo-2-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]propyl]amino]pentanamide
IUPAC NAME: (2R)-5-(diaminomethylideneamino)-N-[3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-2-[[3-[(4-methoxyphenyl)methylsulfanyl]-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]pentanamide
SYSTEMATIC NAME: (2R)-5-[bis(azanyl)methylideneamino]-N-[3-(4-hydroxyphenyl)-1-oxidanylidene-1-(2-phenylethylamino)propan-2-yl]-2-[[3-[(4-methoxyphenyl)methylsulfanyl]-2-[2-(4-phenylphenyl)ethanoylamino]propanoyl]amino]pentanamide
MOLECULAR FORMULA: C48H55N7O6S
MOLECULAR WEIGHT: 858.0586
SMILES: COC1=CC=C(C=C1)CSCC(C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCCC3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)C5=CC=CC=C5
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Product OPENEYE NAME: 2-(2,6-dibromophenyl)-1H-phenanthro[9,10-d]imidazole
CAS Name: 2-(2,6-dibromophenyl)-1H-phenanthro[9,10-d]imidazole
IUPAC NAME: 2-(2,6-dibromophenyl)-1H-phenanthro[9,10-d]imidazole
SYSTEMATIC NAME: 2-[2,6-bis(bromanyl)phenyl]-1H-phenanthro[9,10-d]imidazole
MOLECULAR FORMULA: C21H12Br2N2
MOLECULAR WEIGHT: 452.14138
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2NC(=N4)C5=C(C=CC=C5Br)Br
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Product OPENEYE NAME: 2-(2-bromo-6-fluoro-phenyl)-1H-phenanthro[9,10-d]imidazole
CAS Name: 2-(2-bromo-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
IUPAC NAME: 2-(2-bromo-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
SYSTEMATIC NAME: 2-(2-bromanyl-6-fluoranyl-phenyl)-1H-phenanthro[9,10-d]imidazole
MOLECULAR FORMULA: C21H12BrFN2
MOLECULAR WEIGHT: 391.235783
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2NC(=N4)C5=C(C=CC=C5Br)F
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Product OPENEYE NAME: (2R)-5-guanidino-N-[1-[(4-hydroxyphenyl)methyl]-2-oxo-2-(2-phenylethylamino)ethyl]-2-[[2-[[2-(4-phenylphenyl)acetyl]amino]-3-sulfanyl-propanoyl]amino]pentanamide
CAS Name: (2R)-5-(diaminomethylideneamino)-N-[3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-2-[[3-mercapto-1-oxo-2-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]propyl]amino]pentanamide
IUPAC NAME: (2R)-5-(diaminomethylideneamino)-N-[3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-2-[[2-[[2-(4-phenylphenyl)acetyl]amino]-3-sulfanylpropanoyl]amino]pentanamide
SYSTEMATIC NAME: (2R)-5-[bis(azanyl)methylideneamino]-N-[3-(4-hydroxyphenyl)-1-oxidanylidene-1-(2-phenylethylamino)propan-2-yl]-2-[[2-[2-(4-phenylphenyl)ethanoylamino]-3-sulfanyl-propanoyl]amino]pentanamide
MOLECULAR FORMULA: C40H47N7O5S
MOLECULAR WEIGHT: 737.91008
SMILES: C1=CC=C(C=C1)CCNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)C(CS)NC(=O)CC3=CC=C(C=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (2R)-2-[[3-benzylsulfanyl-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]-5-guanidino-N-[1-[(4-hydroxyphenyl)methyl]-2-oxo-2-(2-phenylethylamino)ethyl]pentanamide
CAS Name: (2R)-5-(diaminomethylideneamino)-N-[3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-2-[[1-oxo-2-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]-3-(phenylmethylthio)propyl]amino]pentanamide
IUPAC NAME: (2R)-2-[[3-benzylsulfanyl-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)-N-[3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]pentanamide
SYSTEMATIC NAME: (2R)-5-[bis(azanyl)methylideneamino]-N-[3-(4-hydroxyphenyl)-1-oxidanylidene-1-(2-phenylethylamino)propan-2-yl]-2-[[3-(phenylmethylsulfanyl)-2-[2-(4-phenylphenyl)ethanoylamino]propanoyl]amino]pentanamide
MOLECULAR FORMULA: C47H53N7O5S
MOLECULAR WEIGHT: 828.03262
SMILES: C1=CC=C(C=C1)CCNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)C(CSCC3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)C5=CC=CC=C5
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Product OPENEYE NAME: (2R)-5-guanidino-N-[1-[(4-hydroxyphenyl)methyl]-2-oxo-2-(2-phenylethylamino)ethyl]-2-[2-[[2-(4-phenylphenyl)acetyl]amino]pentanoylamino]pentanamide
CAS Name: (2R)-5-(diaminomethylideneamino)-N-[3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-2-[[1-oxo-2-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]pentyl]amino]pentanamide
IUPAC NAME: (2R)-5-(diaminomethylideneamino)-N-[3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-2-[2-[[2-(4-phenylphenyl)acetyl]amino]pentanoylamino]pentanamide
SYSTEMATIC NAME: (2R)-5-[bis(azanyl)methylideneamino]-N-[3-(4-hydroxyphenyl)-1-oxidanylidene-1-(2-phenylethylamino)propan-2-yl]-2-[2-[2-(4-phenylphenyl)ethanoylamino]pentanoylamino]pentanamide
MOLECULAR FORMULA: C42H51N7O5
MOLECULAR WEIGHT: 733.89824
SMILES: CCCC(C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCC2=CC=CC=C2)NC(=O)CC3=CC=C(C=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (2R)-5-guanidino-N-[1-[(4-hydroxyphenyl)methyl]-2-oxo-2-(2-phenylethylamino)ethyl]-2-[[3-methylsulfanyl-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]pentanamide
CAS Name: (2R)-5-(diaminomethylideneamino)-N-[3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-2-[[3-(methylthio)-1-oxo-2-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]propyl]amino]pentanamide
IUPAC NAME: (2R)-5-(diaminomethylideneamino)-N-[3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-2-[[3-methylsulfanyl-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]pentanamide
SYSTEMATIC NAME: (2R)-5-[bis(azanyl)methylideneamino]-N-[3-(4-hydroxyphenyl)-1-oxidanylidene-1-(2-phenylethylamino)propan-2-yl]-2-[[3-methylsulfanyl-2-[2-(4-phenylphenyl)ethanoylamino]propanoyl]amino]pentanamide
MOLECULAR FORMULA: C41H49N7O5S
MOLECULAR WEIGHT: 751.93666
SMILES: CSCC(C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCC2=CC=CC=C2)NC(=O)CC3=CC=C(C=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (6E)-4-[(Z)-3H-1,3-benzothiazol-2-ylidene(hydroxy)methyl]-6-[hydroxy-(4-phenoxyphenyl)methylene]cyclohex-4-ene-1,2,3-trione
CAS Name: (6E)-4-[(Z)-3H-1,3-benzothiazol-2-ylidene(hydroxy)methyl]-6-[hydroxy-(4-phenoxyphenyl)methylidene]cyclohex-4-ene-1,2,3-trione
IUPAC NAME: (6E)-4-[(Z)-3H-1,3-benzothiazol-2-ylidene(hydroxy)methyl]-6-[hydroxy-(4-phenoxyphenyl)methylidene]cyclohex-4-ene-1,2,3-trione
SYSTEMATIC NAME: (6E)-4-[(Z)-3H-1,3-benzothiazol-2-ylidene(oxidanyl)methyl]-6-[oxidanyl-(4-phenoxyphenyl)methylidene]cyclohex-4-ene-1,2,3-trione
MOLECULAR FORMULA: C27H17NO6S
MOLECULAR WEIGHT: 483.49198
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)/C(=C\3/C=C(C(=O)C(=O)C3=O)/C(=C/4\NC5=CC=CC=C5S4)/O)/O
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Product OPENEYE NAME: 4-[[(1R)-4-guanidino-1-[[1-[(4-hydroxyphenyl)methyl]-2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]butyl]amino]-4-oxo-3-[[2-(4-phenylphenyl)acetyl]amino]butanoic acid
CAS Name: 4-[[(2R)-5-(diaminomethylideneamino)-1-[[3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxo-3-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]butanoic acid
IUPAC NAME: 4-[[(2R)-5-(diaminomethylideneamino)-1-[[3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxo-3-[[2-(4-phenylphenyl)acetyl]amino]butanoic acid
SYSTEMATIC NAME: 4-[[(2R)-5-[bis(azanyl)methylideneamino]-1-[[3-(4-hydroxyphenyl)-1-oxidanylidene-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-3-[2-(4-phenylphenyl)ethanoylamino]butanoic acid
MOLECULAR FORMULA: C41H47N7O7
MOLECULAR WEIGHT: 749.85458
SMILES: C1=CC=C(C=C1)CCNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)C(CC(=O)O)NC(=O)CC3=CC=C(C=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 1,3-dimethyl-5-[methyl(3-pyridyl)amino]hexahydropyrimidine-2,4-dione
CAS Name: 1,3-dimethyl-5-[methyl(3-pyridinyl)amino]-1,3-diazinane-2,4-dione
IUPAC NAME: 1,3-dimethyl-5-[methyl(pyridin-3-yl)amino]-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 1,3-dimethyl-5-[methyl(pyridin-3-yl)amino]-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C12H16N4O2
MOLECULAR WEIGHT: 248.28104
SMILES: CN1CC(C(=O)N(C1=O)C)N(C)C2=CN=CC=C2
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Product OPENEYE NAME: 5-amino-6-(3-chloro-4-pyridyl)-1,3-dimethyl-hexahydropyrimidine-2,4-dione
CAS Name: 5-amino-6-(3-chloro-4-pyridinyl)-1,3-dimethyl-1,3-diazinane-2,4-dione
IUPAC NAME: 5-amino-6-(3-chloropyridin-4-yl)-1,3-dimethyl-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 5-azanyl-6-(3-chloranylpyridin-4-yl)-1,3-dimethyl-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C11H13ClN4O2
MOLECULAR WEIGHT: 268.69952
SMILES: CN1C(C(C(=O)N(C1=O)C)N)C2=C(C=NC=C2)Cl
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Product OPENEYE NAME: 1,3-dimethyl-5-(3-pyridylamino)hexahydropyrimidine-2,4-dione
CAS Name: 1,3-dimethyl-5-(3-pyridinylamino)-1,3-diazinane-2,4-dione
IUPAC NAME: 1,3-dimethyl-5-(pyridin-3-ylamino)-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 1,3-dimethyl-5-(pyridin-3-ylamino)-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C11H14N4O2
MOLECULAR WEIGHT: 234.25446
SMILES: CN1CC(C(=O)N(C1=O)C)NC2=CN=CC=C2
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Product OPENEYE NAME: (2S)-2-azaniumyl-5-oxo-5-phosphonatooxy-pentanoate
CAS Name: (2S)-2-ammonio-5-oxo-5-phosphonatooxypentanoate
IUPAC NAME: (2S)-2-azaniumyl-5-oxo-5-phosphonatooxypentanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-5-oxidanylidene-5-phosphonatooxy-pentanoate
MOLECULAR FORMULA: C5H8NO7P-2
MOLECULAR WEIGHT: 225.093281
SMILES: C(CC(=O)OP(=O)([O-])[O-])[C@@H](C(=O)[O-])[NH3+]
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Product OPENEYE NAME: N-hydroxyformamide; iron
CAS Name: N-hydroxyformamide; iron
IUPAC NAME: N-hydroxyformamide; iron
SYSTEMATIC NAME: iron; N-oxidanylmethanamide
MOLECULAR FORMULA: C3H9FeN3O6
MOLECULAR WEIGHT: 238.96506
SMILES: C(=O)NO.C(=O)NO.C(=O)NO.[Fe]
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MOLECULAR FORMULA: C55H76MgN4O6+2
MOLECULAR WEIGHT: 913.52014
SMILES: CC[C@@H]1[C@H](C2=[NH+]C1=CC3=C(C4=C([N-]3)C(=C5[C@H]([C@@H](C(=[NH+]5)C=C6C(=C(C(=C2)[N-]6)C(=O)C)C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C4=O)C(=O)OC)C)C.[Mg+2]
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Product OPENEYE NAME: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5R,6R)-5-hydroxy-4-[(2S,3S,4S,5S,6R)-3,4,
CAS Name: N-[(2S,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl]oxy]-4-hydroxy-6-(hydroxymethyl)-5-[[(2S,3S,4S,5R,6R)-5-hydroxy-4-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hy
IUPAC NAME: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5R,6R)-5-hydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxym
SYSTEMATIC NAME: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5R,6R)-4-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan
MOLECULAR FORMULA: C45H76N2O34
MOLECULAR WEIGHT: 1189.07794
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2NC(=O)C)O)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C
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