Monday, November 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (3S)-N-[(1S,2R)-2-[(2R,4R)-4-benzyloxypyrrolidin-2-yl]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-ethyl]-5-oxo-1-pentyl-pyrrolidine-3-carboxamide
CAS Name: (3S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenylmethoxy-2-pyrrolidinyl]propan-2-yl]-5-oxo-1-pentyl-3-pyrrolidinecarboxamide
IUPAC NAME: (3S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenylmethoxypyrrolidin-2-yl]propan-2-yl]-5-oxo-1-pentylpyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-[(1R,2S)-3-[3,5-bis(fluoranyl)phenyl]-1-oxidanyl-1-[(2R,4R)-4-phenylmethoxypyrrolidin-2-yl]propan-2-yl]-5-oxidanylidene-1-pentyl-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C30H39F2N3O4
MOLECULAR WEIGHT: 543.645166
SMILES: CCCCCN1C[C@H](CC1=O)C(=O)N[C@@H](CC2=CC(=CC(=C2)F)F)[C@@H]([C@H]3C[C@H](CN3)OCC4=CC=CC=C4)O
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Product OPENEYE NAME: N-[(1R)-1-[1-(4-ethoxyphenyl)-4-phenyl-imidazol-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide
CAS Name: N-[(1R)-1-[1-(4-ethoxyphenyl)-4-phenyl-2-imidazolyl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[(2S)-1-methyl-2-pyrrolidinyl]methyl]acetamide
IUPAC NAME: N-[(1R)-1-[1-(4-ethoxyphenyl)-4-phenylimidazol-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]acetamide
SYSTEMATIC NAME: N-[(1R)-1-[1-(4-ethoxyphenyl)-4-phenyl-imidazol-2-yl]ethyl]-2-[4-fluoranyl-3-(trifluoromethyl)phenyl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethanamide
MOLECULAR FORMULA: C34H36F4N4O2
MOLECULAR WEIGHT: 608.668853
SMILES: CCOC1=CC=C(C=C1)N2C=C(N=C2[C@@H](C)N(C[C@@H]3CCCN3C)C(=O)CC4=CC(=C(C=C4)F)C(F)(F)F)C5=CC=CC=C5
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Product OPENEYE NAME: N-(2-ethoxyethyl)-N-[(1R)-1-[1-(4-ethoxyphenyl)-4-phenyl-imidazol-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CAS Name: N-(2-ethoxyethyl)-N-[(1R)-1-[1-(4-ethoxyphenyl)-4-phenyl-2-imidazolyl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: N-(2-ethoxyethyl)-N-[(1R)-1-[1-(4-ethoxyphenyl)-4-phenylimidazol-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: N-(2-ethoxyethyl)-N-[(1R)-1-[1-(4-ethoxyphenyl)-4-phenyl-imidazol-2-yl]ethyl]-2-[4-fluoranyl-3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C32H33F4N3O3
MOLECULAR WEIGHT: 583.616333
SMILES: CCOCCN([C@H](C)C1=NC(=CN1C2=CC=C(C=C2)OCC)C3=CC=CC=C3)C(=O)CC4=CC(=C(C=C4)F)C(F)(F)F
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Product OPENEYE NAME: (3S)-N-[(1S,2R)-2-[(2R,4R)-4-benzyloxypyrrolidin-2-yl]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-ethyl]-1-butyl-5-oxo-pyrrolidine-3-carboxamide
CAS Name: (3S)-1-butyl-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenylmethoxy-2-pyrrolidinyl]propan-2-yl]-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: (3S)-1-butyl-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenylmethoxypyrrolidin-2-yl]propan-2-yl]-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-[(1R,2S)-3-[3,5-bis(fluoranyl)phenyl]-1-oxidanyl-1-[(2R,4R)-4-phenylmethoxypyrrolidin-2-yl]propan-2-yl]-1-butyl-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C29H37F2N3O4
MOLECULAR WEIGHT: 529.618586
SMILES: CCCCN1C[C@H](CC1=O)C(=O)N[C@@H](CC2=CC(=CC(=C2)F)F)[C@@H]([C@H]3C[C@H](CN3)OCC4=CC=CC=C4)O
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Product OPENEYE NAME: 3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-2-phenyl-acetyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]-N-[(3-iodophenyl)methyl]-5,5-dimethyl-thiazolidine-4-carboxamide
CAS Name: 3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-1-oxobutyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-N-[(3-iodophenyl)methyl]-5,5-dimethyl-4-thiazolidinecarboxamide
IUPAC NAME: 3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(3-iodophenyl)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
SYSTEMATIC NAME: 3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-N-[(3-iodanylphenyl)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
MOLECULAR FORMULA: C39H48IN5O6S
MOLECULAR WEIGHT: 841.79779
SMILES: CC(=O)N[C@@H](C1=CC=CC=C1)C(=O)N[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C(=O)N3CSC(C3C(=O)NCC4=CC(=CC=C4)I)(C)C)O)C(C)(C)C
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Product OPENEYE NAME: tert-butyl N-[(1S)-2-[(1R,4S,5S)-4-[[3-amino-1-(cyclobutylmethyl)-2,3-dioxo-propyl]carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxo-ethyl]carbamate
CAS Name: N-[(1S)-2-[(1R,4S,5S)-4-[[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-oxomethyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[(1S)-2-[(1R,4S,5S)-4-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(1S)-2-[(1R,4S,5S)-4-[[4-azanyl-1-cyclobutyl-3,4-bis(oxidanylidene)butan-2-yl]carbamoyl]-6,6-bis(chloranyl)-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]carbamate
MOLECULAR FORMULA: C27H40Cl2N4O6
MOLECULAR WEIGHT: 587.5357
SMILES: CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)NC(CC4CCC4)C(=O)C(=O)N)C3(Cl)Cl
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Product OPENEYE NAME: (4S)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-2-phenyl-acetyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]-N-[(1S,2S)-1-carbamoyl-2-methyl-butyl]-5,5-dimethyl-thiazolidine-4-carboxamide
CAS Name: (4S)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-1-oxobutyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5,5-dimethyl-4-thiazolidinecarboxamide
IUPAC NAME: (4S)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
SYSTEMATIC NAME: (4S)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-N-[(2S,3S)-1-azanyl-3-methyl-1-oxidanylidene-pentan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
MOLECULAR FORMULA: C38H54N6O7S
MOLECULAR WEIGHT: 738.93636
SMILES: CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H]1C(SCN1C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C3=CC=CC=C3)NC(=O)C)O)(C)C
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Product OPENEYE NAME: (1R,4S,5S)-N-[1-[2-(allylamino)-2-oxo-acetyl]butyl]-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexyl-acetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-4-carboxamide
CAS Name: (1R,4S,5S)-3-[(2S)-2-[[(tert-butylamino)-oxomethyl]amino]-2-cyclohexyl-1-oxoethyl]-6,6-dichloro-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-3-azabicyclo[3.1.0]hexane-4-carboxamide
IUPAC NAME: (1R,4S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-3-azabicyclo[3.1.0]hexane-4-carboxamide
SYSTEMATIC NAME: (1R,4S,5S)-N-[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)hexan-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexyl-ethanoyl]-6,6-bis(chloranyl)-3-azabicyclo[3.1.0]hexane-4-carboxamide
MOLECULAR FORMULA: C28H43Cl2N5O5
MOLECULAR WEIGHT: 600.57752
SMILES: CCCC(C(=O)C(=O)NCC=C)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(Cl)Cl)CN1C(=O)[C@H](C3CCCCC3)NC(=O)NC(C)(C)C
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Product OPENEYE NAME: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]-N-[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-2,2-dimethyl-propyl]-5,5-dimethyl-thiazolidine-4-carboxami
CAS Name: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-N-[(2S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-5,5-dimethyl-4-thiazoli
IUPAC NAME: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-
SYSTEMATIC NAME: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-N-[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]-5,5
MOLECULAR FORMULA: C41H67N7O8S2
MOLECULAR WEIGHT: 850.14278
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](C(=O)N2CSC([C@@H]2C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N)C(C)(C)C)(C)C)O)NC(=O)C
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Product OPENEYE NAME: tert-butyl N-[(1S)-2-[(1R,4S,5S)-4-[1-[2-(allylamino)-2-oxo-acetyl]butylcarbamoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxo-ethyl]carbamate
CAS Name: N-[(1S)-1-cyclohexyl-2-[(1R,4S,5S)-6,6-dichloro-4-[[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]amino]-oxomethyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,4S,5S)-6,6-dichloro-4-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(1S)-2-[(1R,4S,5S)-4-[[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-6,6-bis(chloranyl)-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]carbamate
MOLECULAR FORMULA: C28H42Cl2N4O6
MOLECULAR WEIGHT: 601.56228
SMILES: CCCC(C(=O)C(=O)NCC=C)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(Cl)Cl)CN1C(=O)[C@H](C3CCCCC3)NC(=O)OC(C)(C)C
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Product OPENEYE NAME: (2R)-2-[4-[3-chloro-4-(2-pyridylmethoxy)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methyl-propanamide
CAS Name: (2R)-2-[[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-5-quinazolinyl]oxy]-N-(2-hydroxyethyl)-N-methylpropanamide
IUPAC NAME: (2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methylpropanamide
SYSTEMATIC NAME: (2R)-2-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methyl-propanamide
MOLECULAR FORMULA: C26H26ClN5O4
MOLECULAR WEIGHT: 507.96874
SMILES: C[C@H](C(=O)N(C)CCO)OC1=CC=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl
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Product OPENEYE NAME: N-[(3S,4S)-1-(2-furylmethyl)-4-(hydroxycarbamoyl)pyrrolidin-3-yl]-4-[(2-methyl-4-quinolyl)methoxy]benzamide
CAS Name: (3S,4S)-1-(2-furanylmethyl)-N-hydroxy-4-[[[4-[(2-methyl-4-quinolinyl)methoxy]phenyl]-oxomethyl]amino]-3-pyrrolidinecarboxamide
IUPAC NAME: (3S,4S)-1-(furan-2-ylmethyl)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S,4S)-1-(furan-2-ylmethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbonylamino]-N-oxidanyl-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C28H28N4O5
MOLECULAR WEIGHT: 500.54572
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)N[C@@H]4CN(C[C@@H]4C(=O)NO)CC5=CC=CO5
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Product OPENEYE NAME: 4-(2-naphthyl)-2-(trichloromethyl)quinazoline
CAS Name: 4-(2-naphthalenyl)-2-(trichloromethyl)quinazoline
IUPAC NAME: 4-naphthalen-2-yl-2-(trichloromethyl)quinazoline
SYSTEMATIC NAME: 4-naphthalen-2-yl-2-(trichloromethyl)quinazoline
MOLECULAR FORMULA: C19H11Cl3N2
MOLECULAR WEIGHT: 373.66304
SMILES: C1=CC=C2C=C(C=CC2=C1)C3=NC(=NC4=CC=CC=C43)C(Cl)(Cl)Cl
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Product OPENEYE NAME: 4-(4-methoxyphenyl)-2-(trichloromethyl)quinazoline
CAS Name: 4-(4-methoxyphenyl)-2-(trichloromethyl)quinazoline
IUPAC NAME: 4-(4-methoxyphenyl)-2-(trichloromethyl)quinazoline
SYSTEMATIC NAME: 4-(4-methoxyphenyl)-2-(trichloromethyl)quinazoline
MOLECULAR FORMULA: C16H11Cl3N2O
MOLECULAR WEIGHT: 353.63034
SMILES: COC1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)C(Cl)(Cl)Cl
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Product OPENEYE NAME: 3-hydroxy-1-[[5-(4-methoxyphenoxy)-2-thienyl]sulfonylmethyl]pyridin-2-one
CAS Name: 3-hydroxy-1-[[5-(4-methoxyphenoxy)-2-thiophenyl]sulfonylmethyl]-2-pyridinone
IUPAC NAME: 3-hydroxy-1-[[5-(4-methoxyphenoxy)thiophen-2-yl]sulfonylmethyl]pyridin-2-one
SYSTEMATIC NAME: 1-[[5-(4-methoxyphenoxy)thiophen-2-yl]sulfonylmethyl]-3-oxidanyl-pyridin-2-one
MOLECULAR FORMULA: C17H15NO6S2
MOLECULAR WEIGHT: 393.4341
SMILES: COC1=CC=C(C=C1)OC2=CC=C(S2)S(=O)(=O)CN3C=CC=C(C3=O)O
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Product OPENEYE NAME: 3-hydroxy-1-[[5-(4-methoxyphenyl)-2-thienyl]sulfonylmethyl]pyridin-2-one
CAS Name: 3-hydroxy-1-[[5-(4-methoxyphenyl)-2-thiophenyl]sulfonylmethyl]-2-pyridinone
IUPAC NAME: 3-hydroxy-1-[[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]pyridin-2-one
SYSTEMATIC NAME: 1-[[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]-3-oxidanyl-pyridin-2-one
MOLECULAR FORMULA: C17H15NO5S2
MOLECULAR WEIGHT: 377.4347
SMILES: COC1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)CN3C=CC=C(C3=O)O
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Product OPENEYE NAME: 1-[(1R,3S)-3-(dimethylamino)-3-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidyl]-1-methyl-propyl]-3-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]urea
CAS Name: 1-[(2R,4S)-4-(dimethylamino)-4-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidinyl]butan-2-yl]-3-[3-ethyl-5-(1-methyl-5-tetrazolyl)phenyl]urea
IUPAC NAME: 1-[(2R,4S)-4-(dimethylamino)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]urea
SYSTEMATIC NAME: 1-[(2R,4S)-4-(dimethylamino)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3-[3-ethyl-5-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]urea
MOLECULAR FORMULA: C29H41FN8O
MOLECULAR WEIGHT: 536.687243
SMILES: CCC1=CC(=CC(=C1)C2=NN=NN2C)NC(=O)N[C@H](C)C[C@H](N3CCC[C@H](C3)CC4=CC=C(C=C4)F)N(C)C
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Product OPENEYE NAME: (2S,3R,4S,5S,6S)-3-[(2S,3S,4S,5S)-3-amino-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-6-[(2S,3R,4S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2S,3R,4S,5S,6S)-4,5,6-trihydroxy-2-propoxycarbonyl-tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy
CAS Name: (2S,3R,4S,5S,6S)-3-[[(2S,3S,4S,5S)-3-amino-4,5-dihydroxy-2-oxanyl]oxy]-6-[[(2S,3R,4S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[[(2S,3R,4S,5S,6S)-4,5,6-trihydroxy-2-[oxo(propoxy)methyl]-3-oxanyl]oxy]-3-oxanyl]oxy]-4,5-dihydroxy-2-oxanecarboxylic acid
IUPAC NAME: (2S,3R,4S,5S,6S)-3-[(2S,3S,4S,5S)-3-amino-4,5-dihydroxyoxan-2-yl]oxy-6-[(2S,3R,4S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2S,3R,4S,5S,6S)-4,5,6-trihydroxy-2-propoxycarbonyloxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3R,4S,5S,6S)-3-[(2S,3S,4S,5S)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6S)-5-azanyl-2-(hydroxymethyl)-4-oxidanyl-6-[(2S,3R,4S,5S,6S)-4,5,6-tris(oxidanyl)-2-propoxycarbonyl-oxan-3-yl]oxy-oxan-3-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic
MOLECULAR FORMULA: C26H44N2O20
MOLECULAR WEIGHT: 704.62896
SMILES: CCCOC(=O)[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)C(=O)O)O[C@H]4[C@H]([C@@H]([C@H](CO4)O)O)N)O)O)O)N
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