Product OPENEYE NAME: cobaltic; [6-amino-2-[3-amino-1-[(2,3-diamino-3-oxo-propyl)amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]-[2-hydroxy-1-[[2-hydroxy-4-[[2-hydroxy-1-[2-[4-[4-[3-(1-phenylethylamino)propylcarbamoyl]thiazol-2-yl]thiazol-2-yl]ethylcarbamoyl]propyl]amino]
CAS Name: [[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methyl-4-pyrimidinyl]-oxomethyl]-[1-hydroxy-3-[[3-hydroxy-5-[[3-hydroxy-1-oxo-1-[2-[4-[4-[oxo-[3-(1-phenylethylamino)propylamino]methyl]-2-thiazolyl]-2-thiazolyl]ethylamino]butan-2-yl]
IUPAC NAME: [6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]-[1-hydroxy-3-[[3-hydroxy-5-[[3-hydroxy-1-oxo-1-[2-[4-[4-[3-(1-phenylethylamino)propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]butan-2-yl]ami
SYSTEMATIC NAME: [6-azanyl-2-[3-azanyl-1-[[2,3-bis(azanyl)-3-oxidanylidene-propyl]amino]-3-oxidanylidene-propyl]-5-methyl-pyrimidin-4-yl]carbonyl-[1-(1H-imidazol-5-yl)-3-[[4-methyl-3-oxidanyl-5-oxidanylidene-5-[[3-oxidanyl-1-oxidanylidene-1-[2-[4-[4-[3-(1-phenylethylamino
MOLECULAR FORMULA: C48H68CoN17O12S2+2
MOLECULAR WEIGHT: 1198.22342
SMILES: CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)[N-]C(C(C2=CN=CN2)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC3=NC(=CS3)C4=NC(=CS4)C(=O)NCCCNC(C)C5=CC=CC=C5)O.OO.[Co+3]
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Product OPENEYE NAME: ferrous 3-[18-(2-carboxyethyl)-17-formyl-12-[(8E)-1-hydroxy-5,9,13-trimethyl-tetradeca-8,12-dienyl]-3,8,13-trimethyl-7-vinyl-porphyrin-22,24-diid-2-yl]propanoic acid
CAS Name: 3-[18-(2-carboxyethyl)-7-ethenyl-17-formyl-12-[(8E)-1-hydroxy-5,9,13-trimethyltetradeca-8,12-dienyl]-3,8,13-trimethyl-2-porphyrin-22,24-diidyl]propanoic acid; iron(2+)
IUPAC NAME: 3-[18-(2-carboxyethyl)-7-ethenyl-17-formyl-12-[(8E)-1-hydroxy-5,9,13-trimethyltetradeca-8,12-dienyl]-3,8,13-trimethylporphyrin-22,24-diid-2-yl]propanoic acid; iron(2+)
SYSTEMATIC NAME: 3-[7-ethenyl-18-(3-hydroxy-3-oxopropyl)-17-methanoyl-3,8,13-trimethyl-12-[(8E)-5,9,13-trimethyl-1-oxidanyl-tetradeca-8,12-dienyl]porphyrin-22,24-diid-2-yl]propanoic acid; iron(2+)
MOLECULAR FORMULA: C49H58FeN4O6
MOLECULAR WEIGHT: 854.85302
SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C(CCCC(C)CC/C=C(\C)/CCC=C(C)C)O)C)C=O)CCC(=O)O)C(=C3C)CCC(=O)O)C=C.[Fe+2]
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Product OPENEYE NAME: [3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] dihydrogen phosphate; vanadium; trihydrate
CAS Name: [3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] dihydrogen phosphate; vanadium; trihydrate
IUPAC NAME: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate; vanadium; trihydrate
SYSTEMATIC NAME: [6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] dihydrogen phosphate; vanadium; trihydrate
MOLECULAR FORMULA: C6H19O12PV
MOLECULAR WEIGHT: 365.123121
SMILES: C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O.O.O.O.[V]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H55N11O11S2
MOLECULAR WEIGHT: 894.0297
SMILES: C1C[C@H]2C(=O)N[C@@H](C(=O)N[C@H](CSSC[C@@H](C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2C1)CC(=O)N)CC4=CC=C(C=C4)O)O)NC(=O)CN)C(=O)N)CCCCN
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CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H56N12O10S2
MOLECULAR WEIGHT: 989.13054
SMILES: C1C[C@H]2C(=O)N[C@@H](C(=O)N[C@H](CSSC[C@@H](C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C1)CCC(=O)N)CC4=CNC5=CC=CC=C54)O)NC(=O)CN)C(=O)N)CC6=CNC7=CC=CC=C76
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Product OPENEYE NAME: ferrous 3-[18-(2-carboxyethyl)-7-ethyl-17-formyl-12-(1-hydroxy-5,9,13,17-tetramethyl-octadecyl)-3,8,13-trimethyl-porphyrin-21,23-diid-2-yl]propanoic acid
CAS Name: 3-[18-(2-carboxyethyl)-7-ethyl-17-formyl-12-(1-hydroxy-5,9,13,17-tetramethyloctadecyl)-3,8,13-trimethyl-2-porphyrin-21,23-diidyl]propanoic acid; iron(2+)
IUPAC NAME: 3-[18-(2-carboxyethyl)-7-ethyl-17-formyl-12-(1-hydroxy-5,9,13,17-tetramethyloctadecyl)-3,8,13-trimethylporphyrin-21,23-diid-2-yl]propanoic acid; iron(2+)
SYSTEMATIC NAME: 3-[7-ethyl-18-(3-hydroxy-3-oxopropyl)-17-methanoyl-3,8,13-trimethyl-12-(5,9,13,17-tetramethyl-1-oxidanyl-octadecyl)porphyrin-21,23-diid-2-yl]propanoic acid; iron(2+)
MOLECULAR FORMULA: C54H74FeN4O6
MOLECULAR WEIGHT: 931.03356
SMILES: CCC1=C(C2=NC1=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=C2)[N-]5)C(CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)O)C)C=O)CCC(=O)O)CCC(=O)O)C)C.[Fe+2]
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Product OPENEYE NAME: iron; 3,6,9-tris[3-[hydroxy(hydroxymethyl)amino]propyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CAS Name: iron; 3,6,9-tris[3-[hydroxy(hydroxymethyl)amino]propyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
IUPAC NAME: iron; 3,6,9-tris[3-[hydroxy(hydroxymethyl)amino]propyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
SYSTEMATIC NAME: iron; 3,6,9-tris[3-[hydroxymethyl(oxidanyl)amino]propyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
MOLECULAR FORMULA: C24H45FeN9O12
MOLECULAR WEIGHT: 707.5122
SMILES: C1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CCCN(CO)O)CCCN(CO)O)CCCN(CO)O.[Fe]
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Product OPENEYE NAME: oxonium; actinium; azanide; [[[5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxonium; dihydrate
CAS Name: oxonium; actinium; azanide; [[[5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxonium; dihydrate
IUPAC NAME: oxidanium; actinium; azanide; [[[5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxidanium; dihydrate
SYSTEMATIC NAME: oxidanium; actinium; azanide; [[[5-[7,8-dimethyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-10-ium-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxidanium; dihydrate
MOLECULAR FORMULA: C17H41Ac10N9O15P2-2
MOLECULAR WEIGHT: 2943.783732
SMILES: CC1=CC2=C(C=C1C)[N+](=C3C(=N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)OP(=O)([OH2+])O)O)O)O.[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[OH3+].O.O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac]
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Product OPENEYE NAME: 2-[[2-[2-(2-aminopropylamino)-3-methyl-pentoxy]-3-phenyl-propanoyl]amino]-4-methylsulfonyl-butanoic acid; scandium
CAS Name: 2-[[2-[2-(2-aminopropylamino)-3-methylpentoxy]-1-oxo-3-phenylpropyl]amino]-4-methylsulfonylbutanoic acid; scandium
IUPAC NAME: 2-[[2-[2-(2-aminopropylamino)-3-methylpentoxy]-3-phenylpropanoyl]amino]-4-methylsulfonylbutanoic acid; scandium
SYSTEMATIC NAME: 2-[[2-[2-(2-azanylpropylamino)-3-methyl-pentoxy]-3-phenyl-propanoyl]amino]-4-methylsulfonyl-butanoic acid; scandium
MOLECULAR FORMULA: C23H38N3O6SSc-
MOLECULAR WEIGHT: 529.58523
SMILES: CCC(C)C(COC(CC1=CC=CC=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)O)NCC([CH2-])N.[Sc]
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Product OPENEYE NAME: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione; vanadium; trihydrate
CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione; vanadium; trihydrate
IUPAC NAME: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione; vanadium; trihydrate
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione; vanadium; trihydrate
MOLECULAR FORMULA: C9H18N2O9V
MOLECULAR WEIGHT: 349.18872
SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O.O.O.O.[V]
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Product OPENEYE NAME: 2-amino-5-[hydroxy(1-hydroxyethyl)amino]-N-[4-[hydroxy(1-hydroxyethyl)amino]-1-[[4-[hydroxy(1-hydroxyethyl)amino]-1-(2-oxoethylcarbamoyl)butyl]carbamoyl]butyl]pentanamide; iron
CAS Name: 2-amino-5-[hydroxy(1-hydroxyethyl)amino]-N-[5-[hydroxy(1-hydroxyethyl)amino]-1-[[5-[hydroxy(1-hydroxyethyl)amino]-1-oxo-1-(2-oxoethylamino)pentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide; iron
IUPAC NAME: 2-amino-5-[hydroxy(1-hydroxyethyl)amino]-N-[5-[hydroxy(1-hydroxyethyl)amino]-1-[[5-[hydroxy(1-hydroxyethyl)amino]-1-oxo-1-(2-oxoethylamino)pentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide; iron
SYSTEMATIC NAME: 2-azanyl-5-[1-hydroxyethyl(oxidanyl)amino]-N-[5-[1-hydroxyethyl(oxidanyl)amino]-1-[[5-[1-hydroxyethyl(oxidanyl)amino]-1-oxidanylidene-1-(2-oxidanylideneethylamino)pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]pentanamide; iron
MOLECULAR FORMULA: C23H47FeN7O10
MOLECULAR WEIGHT: 637.50518
SMILES: CC(N(CCCC(C(=O)NC(CCCN(C(C)O)O)C(=O)NC(CCCN(C(C)O)O)C(=O)NCC=O)N)O)O.[Fe]
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Product OPENEYE NAME: (2S,3S,4R,5S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6
CAS Name: (2S,3S,4R,5S,8R,10R,11R,12S,13S,14R)-11-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4,10-trihydroxy-13-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-
IUPAC NAME: (2S,3S,4R,5S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-o
SYSTEMATIC NAME: (2S,3S,4R,5S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-3,4,10-tris(oxidanyl)-1-oxa-6-azacyclopentade
MOLECULAR FORMULA: C38H72N2O12
MOLECULAR WEIGHT: 748.98448
SMILES: CC[C@H]1[C@@]([C@@H]([C@@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O
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Product OPENEYE NAME: ferrous 3-[18-(2-carboxyethyl)-17-formyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-tetradeca-4,8-dienyl]-3,8,13-trimethyl-7-vinyl-porphyrin-22,24-diid-2-yl]propanoic acid
CAS Name: 3-[18-(2-carboxyethyl)-7-ethenyl-17-formyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8-dienyl]-3,8,13-trimethyl-2-porphyrin-22,24-diidyl]propanoic acid; iron(2+)
IUPAC NAME: 3-[18-(2-carboxyethyl)-7-ethenyl-17-formyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8-dienyl]-3,8,13-trimethylporphyrin-22,24-diid-2-yl]propanoic acid; iron(2+)
SYSTEMATIC NAME: 3-[7-ethenyl-18-(3-hydroxy-3-oxopropyl)-17-methanoyl-3,8,13-trimethyl-12-[(4E,8E)-5,9,13-trimethyl-1-oxidanyl-tetradeca-4,8-dienyl]porphyrin-22,24-diid-2-yl]propanoic acid; iron(2+)
MOLECULAR FORMULA: C49H58FeN4O6
MOLECULAR WEIGHT: 854.85302
SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C(CC/C=C(\C)/CC/C=C(\C)/CCCC(C)C)O)C)C=O)CCC(=O)O)C(=C3C)CCC(=O)O)C=C.[Fe+2]
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Product OPENEYE NAME: zinc 3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-bis(1-sulfanylethyl)porphyrin-21,23-diid-2-yl]propanoic acid
CAS Name: zinc 3-[18-(2-carboxyethyl)-8,13-bis(1-mercaptoethyl)-3,7,12,17-tetramethyl-2-porphyrin-21,23-diidyl]propanoic acid
IUPAC NAME: zinc 3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-bis(1-sulfanylethyl)porphyrin-21,23-diid-2-yl]propanoic acid
SYSTEMATIC NAME: zinc 3-[18-(3-hydroxy-3-oxopropyl)-3,7,12,17-tetramethyl-8,13-bis(1-sulfanylethyl)porphyrin-21,23-diid-2-yl]propanoic acid
MOLECULAR FORMULA: C34H36N4O4S2Zn
MOLECULAR WEIGHT: 694.21304
SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C(C)S)C)C(C)S)C(=C3CCC(=O)O)C)CCC(=O)O.[Zn+2]
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Product OPENEYE NAME: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate; vanadium; dihydrate
CAS Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl phosphono hydrogen phosphate; vanadium; dihydrate
IUPAC NAME: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate; vanadium; dihydrate
SYSTEMATIC NAME: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate; vanadium; dihydrate
MOLECULAR FORMULA: C10H19N5O12P2V
MOLECULAR WEIGHT: 514.173182
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O.O.O.[V]
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