Tuesday, November 29, 2011

http://ChemLookup.com Compounds




CAS RN: 7147-79-7
CAS Name: (3E)-7-[[[[(6E)-6-[(2-amino-6-sulfo-1-naphthalenyl)hydrazinylidene]-5-oxo-7-sulfo-2-naphthalenyl]amino]-oxomethyl]amino]-3-[(2-methoxyphenyl)hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid
OPENEYE Name: (3E)-7-[[(6E)-6-[(2-amino-6-sulfo-1-naphthyl)hydrazono]-5-oxo-7-sulfo-2-naphthyl]carbamoylamino]-3-[(2-methoxyphenyl)hydrazono]-4-oxo-naphthalene-2-sulfonic acid
IUPAC Name: (3E)-7-[[(6E)-6-[(2-amino-6-sulfonaphthalen-1-yl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]carbamoylamino]-3-[(2-methoxyphenyl)hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid
SYSTEMATIC NAME: (3E)-7-[[(6E)-6-[(2-azanyl-6-sulfo-naphthalen-1-yl)hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-2-yl]carbamoylamino]-3-[(2-methoxyphenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C38H29N7O13S3
MOLECULAR WEIGHT: 887.87096
SMILES: COC1=CC=CC=C1N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C(=O)/C(=N\NC6=C(C=CC7=C6C=CC(=C7)S(=O)(=O)O)N)/C(=C5)S(=O)(=O)O)S(=O)(=O)O
Structure:

CAS RN: 61948-43-4
CAS Name: (4Z)-5-amino-4-(4,5-dimethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-3-methyl-1H-pyridine-2-carboxylic acid
OPENEYE Name: (4Z)-5-amino-4-(4,5-dimethoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid
IUPAC Name: (4Z)-5-amino-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid
SYSTEMATIC NAME: (4Z)-5-azanyl-4-(4,5-dimethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid
MOLECULAR FORMULA: C15H16N2O5
MOLECULAR WEIGHT: 304.29794
SMILES: CC\1=C(NC=C(/C1=C\2/C=CC(=C(C2=O)OC)OC)N)C(=O)O
Structure:

CAS RN: 153619-18-2
CAS Name: [(5S,6S)-4-amino-2-[[[(1R)-1-carboxyethyl]amino]-oxomethyl]-5-[[(2S,3R,4S,5S,6R)-5-(dimethylamino)-3-hydroxy-6-methyl-4-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]te
OPENEYE Name: [(5S,6S)-4-amino-2-[[(1R)-1-carboxyethyl]carbamoyl]-5-[(2S,3R,4S,5S,6R)-5-(dimethylamino)-3-hydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydr
IUPAC Name: [(5S,6S)-4-amino-2-[[(1R)-1-carboxyethyl]carbamoyl]-5-[(2S,3R,4S,5S,6R)-5-(dimethylamino)-3-hydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracen-10-yl
SYSTEMATIC NAME: [(5S,6S)-4-azanyl-5-[(2S,3R,4S,5S,6R)-5-(dimethylamino)-6-methyl-3-oxidanyl-4-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-11-methoxy-3-methyl-1,6,9,14-tetrakis(oxidanyl)-8,13-bis(oxidanylidene)-2-[[(2R)-1-oxidanyl-1-oxidanylidene-propan
MOLECULAR FORMULA: C45H57N4O18+
MOLECULAR WEIGHT: 941.95008
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=C(C4=C2C(=C(C(=C4O)C(=O)N[C@H](C)C(=O)O)C)N)C(=C5C(=C3)C(=O)C6=C(C(=C(C=C6C5=O)OC)C[N+](C)(C)C)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)N(C)C
Structure:

CAS RN: 153619-31-9
CAS Name: (2R)-2-[[[(5S,6S)-4-amino-1,6,9,14-tetrahydroxy-5-[[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracen-2-yl]-oxomethyl]amino]propano
OPENEYE Name: (2R)-2-[[(5S,6S)-4-amino-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl
IUPAC Name: (2R)-2-[[(5S,6S)-4-amino-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
SYSTEMATIC NAME: (2R)-2-[[(5S,6S)-4-azanyl-11-methoxy-3-methyl-5-[(2S,3R,4S,5S,6R)-6-methyl-5-(methylamino)-3-oxidanyl-4-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-1,6,9,14-tetrakis(oxidanyl)-8,13-bis(oxidanylidene)-5,6-dihydrobenzo[a]tetracen-2-yl]car
MOLECULAR FORMULA: C40H45N3O18
MOLECULAR WEIGHT: 855.7946
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=C(C4=C2C(=C(C(=C4O)C(=O)N[C@H](C)C(=O)O)C)N)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)OC)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)NC
Structure:

CAS RN: 153619-28-4
CAS Name: (2R)-2-[[oxo-[(5S,6S)-1,6,9,14-tetrahydroxy-5-[[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-10-iodo-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracen-2-yl]methyl]amino]propano
OPENEYE Name: (2R)-2-[[(5S,6S)-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-10-iodo-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl
IUPAC Name: (2R)-2-[[(5S,6S)-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-10-iodo-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
SYSTEMATIC NAME: (2R)-2-[[(5S,6S)-10-iodanyl-11-methoxy-3-methyl-5-[(2S,3R,4S,5S,6R)-6-methyl-5-(methylamino)-3-oxidanyl-4-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-1,6,9,14-tetrakis(oxidanyl)-8,13-bis(oxidanylidene)-5,6-dihydrobenzo[a]tetracen-2-yl]c
MOLECULAR FORMULA: C40H43IN2O18
MOLECULAR WEIGHT: 966.67649
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=C(C4=C(C(=C(C=C24)C)C(=O)N[C@H](C)C(=O)O)O)C(=C5C(=C3)C(=O)C6=C(C(=C(C=C6C5=O)OC)I)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)NC
Structure:

CAS RN: 153619-27-3
CAS Name: (2R)-2-[[[(5S,6S)-4-bromo-1,6,9,14-tetrahydroxy-5-[[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracen-2-yl]-oxomethyl]amino]propano
OPENEYE Name: (2R)-2-[[(5S,6S)-4-bromo-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl
IUPAC Name: (2R)-2-[[(5S,6S)-4-bromo-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
SYSTEMATIC NAME: (2R)-2-[[(5S,6S)-4-bromanyl-11-methoxy-3-methyl-5-[(2S,3R,4S,5S,6R)-6-methyl-5-(methylamino)-3-oxidanyl-4-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-1,6,9,14-tetrakis(oxidanyl)-8,13-bis(oxidanylidene)-5,6-dihydrobenzo[a]tetracen-2-yl]c
MOLECULAR FORMULA: C40H43BrN2O18
MOLECULAR WEIGHT: 919.67602
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=C(C4=C2C(=C(C(=C4O)C(=O)N[C@H](C)C(=O)O)C)Br)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)OC)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)NC
Structure:

CAS RN: 152880-68-7
CAS Name: (2R)-2-[[oxo-[(5S,6S)-1,6,9,11,14-pentahydroxy-5-[[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracen-2-yl]methyl]amino]propanoic acid
OPENEYE Name: (2R)-2-[[(5S,6S)-1,6,9,11,14-pentahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic
IUPAC Name: (2R)-2-[[(5S,6S)-1,6,9,11,14-pentahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
SYSTEMATIC NAME: (2R)-2-[[(5S,6S)-3-methyl-5-[(2S,3R,4S,5S,6R)-6-methyl-5-(methylamino)-3-oxidanyl-4-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-1,6,9,11,14-pentakis(oxidanyl)-8,13-bis(oxidanylidene)-5,6-dihydrobenzo[a]tetracen-2-yl]carbonylamino]propan
MOLECULAR FORMULA: C39H42N2O18
MOLECULAR WEIGHT: 826.75338
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=C(C4=C(C(=C(C=C24)C)C(=O)N[C@H](C)C(=O)O)O)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)O)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)NC
Structure:

CAS RN: 153619-26-2
CAS Name: (2R)-2-[[oxo-[(5S,6S)-6,9,14-trihydroxy-5-[[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-1,11-dimethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracen-2-yl]methyl]amino]propanoic acid
OPENEYE Name: (2R)-2-[[(5S,6S)-6,9,14-trihydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1,11-dimethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]p
IUPAC Name: (2R)-2-[[(5S,6S)-6,9,14-trihydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,11-dimethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
SYSTEMATIC NAME: (2R)-2-[[(5S,6S)-1,11-dimethoxy-3-methyl-5-[(2S,3R,4S,5S,6R)-6-methyl-5-(methylamino)-3-oxidanyl-4-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6,9,14-tris(oxidanyl)-8,13-bis(oxidanylidene)-5,6-dihydrobenzo[a]tetracen-2-yl]carbonylamino]
MOLECULAR FORMULA: C41H46N2O18
MOLECULAR WEIGHT: 854.80654
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=C(C4=C(C(=C(C=C24)C)C(=O)N[C@H](C)C(=O)O)OC)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)OC)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)NC
Structure:

CAS RN: 150134-46-6
CAS Name: (2R)-2-[[[(5S,6S)-5-[[(2S,3R,4S,5R,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)-2-oxanyl]oxy]-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracen-2-yl]-oxomethyl]amino]propanoic acid methyl ester
OPENEYE Name: methyl (2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5R,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)tetrahydropyran-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoate
IUPAC Name: methyl (2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5R,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[(5S,6S)-11-methoxy-3-methyl-5-[(2S,3R,4S,5R,6R)-6-methyl-5-(methylamino)-3,4-bis(oxidanyl)oxan-2-yl]oxy-1,6,9,14-tetrakis(oxidanyl)-8,13-bis(oxidanylidene)-5,6-dihydrobenzo[a]tetracen-2-yl]carbonylamino]propanoate
MOLECULAR FORMULA: C36H38N2O14
MOLECULAR WEIGHT: 722.69192
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=C(C4=C(C(=C(C=C24)C)C(=O)N[C@H](C)C(=O)OC)O)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)OC)O)O)O)O)O)NC
Structure:

CAS RN: 129277-53-8
CAS Name: 1,3-dihydroxy-2,5-dimethoxy-9-xanthenone
OPENEYE Name: 1,3-dihydroxy-2,5-dimethoxy-xanthen-9-one
IUPAC Name: 1,3-dihydroxy-2,5-dimethoxyxanthen-9-one
SYSTEMATIC NAME: 2,5-dimethoxy-1,3-bis(oxidanyl)xanthen-9-one
MOLECULAR FORMULA: C15H12O6
MOLECULAR WEIGHT: 288.25218
SMILES: COC1=CC=CC2=C1OC3=CC(=C(C(=C3C2=O)O)OC)O
Structure:

CAS RN: 201341-01-7
CAS Name: carbonic acid [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(2-methylpropan-2-yl)oxy-oxomethoxy]methoxy]phosphoryl]oxymethyl tert-butyl ester
OPENEYE Name: [[(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-(tert-butoxycarbonyloxymethoxy)phosphoryl]oxymethyl tert-butyl carbonate
IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[(2-methylpropan-2-yl)oxycarbonyloxymethoxy]phosphoryl]oxymethyl tert-butyl carbonate
SYSTEMATIC NAME: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[(2-methylpropan-2-yl)oxycarbonyloxymethoxy]phosphoryl]oxymethyl tert-butyl carbonate
MOLECULAR FORMULA: C21H34N5O10P
MOLECULAR WEIGHT: 547.495921
SMILES: C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C
Structure:

CAS RN: 173091-97-9
CAS Name: N-[(2S,3S)-4-[(2S)-4-[(2S)-4-[(2R)-1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-pyrrol-2-yl]-3-oxo-2-(phenylmethyl)-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid [(3S)-3-oxolanyl] ester
OPENEYE Name: [(3S)-tetrahydrofuran-3-yl] N-[(1S,2S)-1-benzyl-3-[(2S)-2-benzyl-4-[(2S)-4-[(1R)-1-benzyl-2-(tert-butylamino)-2-oxo-ethyl]-2-isobutyl-3-oxo-1H-pyrrol-2-yl]-3-oxo-1H-pyrrol-2-yl]-2-hydroxy-propyl]carbamate
IUPAC Name: [(3S)-oxolan-3-yl] N-[(2S,3S)-4-[(2S)-2-benzyl-4-[(2S)-4-[(2R)-1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-pyrrol-2-yl]-3-oxo-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
SYSTEMATIC NAME: [(3S)-oxolan-3-yl] N-[(2S,3S)-4-[(2S)-4-[(2S)-4-[(2R)-1-(tert-butylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(2-methylpropyl)-3-oxidanylidene-1H-pyrrol-2-yl]-3-oxidanylidene-2-(phenylmethyl)-1H-pyrrol-2-yl]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate
MOLECULAR FORMULA: C47H58N4O7
MOLECULAR WEIGHT: 790.98602
SMILES: CC(C)C[C@@]1(C(=O)C(=CN1)[C@@H](CC2=CC=CC=C2)C(=O)NC(C)(C)C)C3=CN[C@@](C3=O)(CC4=CC=CC=C4)C[C@@H]([C@H](CC5=CC=CC=C5)NC(=O)O[C@H]6CCOC6)O
Structure:

CAS RN: 173091-96-8
CAS Name: N-[(2S,3S)-4-[(2S)-4-[(2S)-4-[(2R)-1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-pyrrol-2-yl]-3-oxo-2-(phenylmethyl)-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(1S,2S)-1-benzyl-3-[(2S)-2-benzyl-4-[(2S)-4-[(1R)-1-benzyl-2-(tert-butylamino)-2-oxo-ethyl]-2-isobutyl-3-oxo-1H-pyrrol-2-yl]-3-oxo-1H-pyrrol-2-yl]-2-hydroxy-propyl]carbamate
IUPAC Name: tert-butyl N-[(2S,3S)-4-[(2S)-2-benzyl-4-[(2S)-4-[(2R)-1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-pyrrol-2-yl]-3-oxo-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S,3S)-4-[(2S)-4-[(2S)-4-[(2R)-1-(tert-butylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(2-methylpropyl)-3-oxidanylidene-1H-pyrrol-2-yl]-3-oxidanylidene-2-(phenylmethyl)-1H-pyrrol-2-yl]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate
MOLECULAR FORMULA: C47H60N4O6
MOLECULAR WEIGHT: 777.0025
SMILES: CC(C)C[C@@]1(C(=O)C(=CN1)[C@@H](CC2=CC=CC=C2)C(=O)NC(C)(C)C)C3=CN[C@@](C3=O)(CC4=CC=CC=C4)C[C@@H]([C@H](CC5=CC=CC=C5)NC(=O)OC(C)(C)C)O
Structure:

CAS RN: 153239-99-7
CAS Name: N-[(2S,3S)-4-[(2S)-4-[(2S)-4-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-pyrrol-2-yl]-3-oxo-2-(phenylmethyl)-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(1S,2S)-3-[(2S)-4-[(2S)-4-[(1R)-2-amino-1-benzyl-2-oxo-ethyl]-2-isobutyl-3-oxo-1H-pyrrol-2-yl]-2-benzyl-3-oxo-1H-pyrrol-2-yl]-1-benzyl-2-hydroxy-propyl]carbamate
IUPAC Name: tert-butyl N-[(2S,3S)-4-[(2S)-4-[(2S)-4-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-pyrrol-2-yl]-2-benzyl-3-oxo-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S,3S)-4-[(2S)-4-[(2S)-4-[(2R)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(2-methylpropyl)-3-oxidanylidene-1H-pyrrol-2-yl]-3-oxidanylidene-2-(phenylmethyl)-1H-pyrrol-2-yl]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate
MOLECULAR FORMULA: C43H52N4O6
MOLECULAR WEIGHT: 720.89618
SMILES: CC(C)C[C@@]1(C(=O)C(=CN1)[C@@H](CC2=CC=CC=C2)C(=O)N)C3=CN[C@@](C3=O)(CC4=CC=CC=C4)C[C@@H]([C@H](CC5=CC=CC=C5)NC(=O)OC(C)(C)C)O
Structure:

CAS RN: 152253-69-5
CAS Name: 2-[3,4-dihydroxy-2,6-bis(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-1-benzopyran-4-one
OPENEYE Name: 2-[3,4-dihydroxy-2,6-bis(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
IUPAC Name: 2-[3,4-dihydroxy-2,6-bis(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
SYSTEMATIC NAME: 2-[2,6-bis(3-methylbut-2-enyl)-3,4-bis(oxidanyl)phenyl]-8-(3-methylbut-2-enyl)-3,5,7-tris(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C30H34O7
MOLECULAR WEIGHT: 506.58676
SMILES: CC(=CCC1=CC(=C(C(=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)CC=C(C)C)O)CC=C(C)C)O)O)C
Structure:

CAS RN: 166323-91-7
CAS Name: 1-[(5-bromo-2-oxo-3-indolyl)amino]-3-methylthiourea
OPENEYE Name: 1-[(5-bromo-2-oxo-indol-3-yl)amino]-3-methyl-thiourea
IUPAC Name: 1-[(5-bromo-2-oxoindol-3-yl)amino]-3-methylthiourea
SYSTEMATIC NAME: 1-[(5-bromanyl-2-oxidanylidene-indol-3-yl)amino]-3-methyl-thiourea
MOLECULAR FORMULA: C10H9BrN4OS
MOLECULAR WEIGHT: 313.17366
SMILES: CNC(=S)NNC1=C2C=C(C=CC2=NC1=O)Br
Structure:

CAS RN: 161594-18-9
CAS Name: N-[(2S)-1-[[(2S,3R,4R)-3-hydroxy-5-[[(2S)-3-methyl-1-oxo-1-[(phenylmethyl)amino]butan-2-yl]amino]-5-oxo-1-phenyl-4-[(phenylmethyl)amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1S)-2-[[(1S,2R,3R)-1-benzyl-3-(benzylamino)-4-[[(1S)-1-(benzylcarbamoyl)-2-methyl-propyl]amino]-2-hydroxy-4-oxo-butyl]amino]-1-methyl-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[(2S)-1-[[(2S,3R,4R)-4-(benzylamino)-5-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-1-[[(2S,3R,4R)-5-[[(2S)-3-methyl-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]amino]-3-oxidanyl-5-oxidanylidene-1-phenyl-4-[(phenylmethyl)amino]pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C41H49N5O6
MOLECULAR WEIGHT: 707.85766
SMILES: C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NCC2=CC=CC=C2)NCC3=CC=CC=C3)O)NC(=O)OCC4=CC=CC=C4
Structure:

CAS RN: 105618-26-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H43N3O6
MOLECULAR WEIGHT: 661.78592
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)[C@H]9[C@@]12CCN([C@@H]([C@@]1(C8)O)CC1=C2C(=C(C=C1)O)O9)CC1CC1
Structure:

CAS RN: 2308-56-7
CAS Name: 5H-imidazo[4,5-d]triazin-4-amine
OPENEYE Name: 5H-imidazo[4,5-d]triazin-4-amine
IUPAC Name: 5H-imidazo[4,5-d]triazin-4-amine
SYSTEMATIC NAME: 5H-imidazo[4,5-d][1,2,3]triazin-4-amine
MOLECULAR FORMULA: C4H4N6
MOLECULAR WEIGHT: 136.11476
SMILES: C1=NC2=C(N1)C(=NN=N2)N
Structure:

CAS RN: 82354-35-6
CAS Name: 1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methyl-9-acridinone
OPENEYE Name: 1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methyl-acridin-9-one
IUPAC Name: 1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one
SYSTEMATIC NAME: 2,3,4,5-tetramethoxy-10-methyl-1,6-bis(oxidanyl)acridin-9-one
MOLECULAR FORMULA: C18H19NO7
MOLECULAR WEIGHT: 361.34596
SMILES: CN1C2=C(C=CC(=C2OC)O)C(=O)C3=C1C(=C(C(=C3O)OC)OC)OC
Structure:

CAS RN: 837369-26-3
CAS Name: 4-[5-[4-[(Z)-amino(methoxyimino)methyl]phenyl]-2-furanyl]-N'-methoxybenzenecarboximidamide
OPENEYE Name: N'-methoxy-4-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]-2-furyl]benzamidine
IUPAC Name: N'-methoxy-4-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
SYSTEMATIC NAME: N'-methoxy-4-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
MOLECULAR FORMULA: C20H20N4O3
MOLECULAR WEIGHT: 364.3978
SMILES: CO/N=C(\N)/C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)/C(=N/OC)/N
Structure:

CAS RN: 186953-56-0
CAS Name: 4-[5-[4-[(Z)-amino(methoxyimino)methyl]phenyl]-2-furanyl]-N'-methoxybenzenecarboximidamide
OPENEYE Name: N'-methoxy-4-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]-2-furyl]benzamidine
IUPAC Name: N'-methoxy-4-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
SYSTEMATIC NAME: N'-methoxy-4-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
MOLECULAR FORMULA: C20H20N4O3
MOLECULAR WEIGHT: 364.3978
SMILES: CO/N=C(\N)/C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)/C(=N/OC)/N
Structure:

No comments:

Post a Comment