Wednesday, November 30, 2011

http://ChemLookup.com Compounds




CAS RN: 1456-63-9
CAS Name: 1-amino-N-(3-methoxypropyl)-4-nitro-9,10-dioxo-2-anthracenecarboxamide
OPENEYE Name: 1-amino-N-(3-methoxypropyl)-4-nitro-9,10-dioxo-anthracene-2-carboxamide
IUPAC Name: 1-amino-N-(3-methoxypropyl)-4-nitro-9,10-dioxoanthracene-2-carboxamide
SYSTEMATIC NAME: 1-azanyl-N-(3-methoxypropyl)-4-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxamide
MOLECULAR FORMULA: C19H17N3O6
MOLECULAR WEIGHT: 383.35478
SMILES: COCCCNC(=O)C1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]
Structure:

CAS RN: 1556-70-3
CAS Name: 3-pyridinecarboxylic acid [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-1-benzopyran-3-yl] ester
OPENEYE Name: [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl] pyridine-3-carboxylate
IUPAC Name: [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] pyridine-3-carboxylate
SYSTEMATIC NAME: [2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl] pyridine-3-carboxylate
MOLECULAR FORMULA: C21H13NO8
MOLECULAR WEIGHT: 407.32982
SMILES: C1=CC(=CN=C1)C(=O)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O
Structure:

CAS RN: 20188-85-6
CAS Name: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C29H34O16
MOLECULAR WEIGHT: 638.57066
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O
Structure:

CAS RN: 64527-08-8
CAS Name: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C29H34O16
MOLECULAR WEIGHT: 638.57066
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O
Structure:

CAS RN: 2461-62-3
CAS Name: (5Z)-5-(hydroxymethylidene)-2-oxo-3-heptenedioic acid
OPENEYE Name: (5Z)-5-(hydroxymethylene)-2-oxo-hept-3-enedioic acid
IUPAC Name: (5Z)-5-(hydroxymethylidene)-2-oxohept-3-enedioic acid
SYSTEMATIC NAME: (5Z)-2-oxidanylidene-5-(oxidanylmethylidene)hept-3-enedioic acid
MOLECULAR FORMULA: C8H8O6
MOLECULAR WEIGHT: 200.14552
SMILES: C(/C(=C/O)/C=CC(=O)C(=O)O)C(=O)O
Structure:

CAS RN: 3615-05-2
CAS Name: 3-[(2S)-butan-2-yl]-7-(dihydroxymethylidene)-4-methyl-2-benzopyran-6,8-dione
OPENEYE Name: 7-(dihydroxymethylene)-4-methyl-3-[(1S)-1-methylpropyl]isochromene-6,8-dione
IUPAC Name: 3-[(2S)-butan-2-yl]-7-(dihydroxymethylidene)-4-methylisochromene-6,8-dione
SYSTEMATIC NAME: 7-[bis(oxidanyl)methylidene]-3-[(2S)-butan-2-yl]-4-methyl-isochromene-6,8-dione
MOLECULAR FORMULA: C15H16O5
MOLECULAR WEIGHT: 276.28454
SMILES: CC[C@H](C)C1=C(C2=CC(=O)C(=C(O)O)C(=O)C2=CO1)C
Structure:

CAS RN: 56748-60-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H25NO8S
MOLECULAR WEIGHT: 463.5008
SMILES: CS(=O)(=O)O.C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6=COC=C6)[C@H](C1=O)OC5=C(C=C4)O)O
Structure:

CAS RN: 52335-39-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24ClNO3
MOLECULAR WEIGHT: 373.87316
SMILES: C1C[C@H]2[C@H]3CC4=C5[C@@]2(CCN3CC6=COC=C6)[C@H](C1)OC5=C(C=C4)O.Cl
Structure:

CAS RN: 53843-93-9
CAS Name: (2S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-3-hydroxy-1-oxopropyl]amino]propanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxy-propanoyl]amino]propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]propanoic acid
MOLECULAR FORMULA: C8H15N3O5
MOLECULAR WEIGHT: 233.2218
SMILES: C[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)CN
Structure:

CAS RN: 12656-40-5
CAS Name: N-[2-hydroxy-1-[4-[(3-methoxy-5-oxo-2H-pyrrol-1-yl)-oxomethyl]-4,5-dihydrothiazol-2-yl]ethyl]-2-(nitrosomethylidene)-3H-thiazole-4-carboxamide
OPENEYE Name: N-[2-hydroxy-1-[4-(3-methoxy-5-oxo-2H-pyrrole-1-carbonyl)-4,5-dihydrothiazol-2-yl]ethyl]-2-(nitrosomethylene)-3H-thiazole-4-carboxamide
IUPAC Name: N-[2-hydroxy-1-[4-(3-methoxy-5-oxo-2H-pyrrole-1-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]ethyl]-2-(nitrosomethylidene)-3H-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N-[1-[4-[(3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl)carbonyl]-4,5-dihydro-1,3-thiazol-2-yl]-2-oxidanyl-ethyl]-2-(nitrosomethylidene)-3H-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C16H17N5O6S2
MOLECULAR WEIGHT: 439.46608
SMILES: COC1=CC(=O)N(C1)C(=O)C2CSC(=N2)C(CO)NC(=O)C3=CSC(=CN=O)N3
Structure:

CAS RN: 2520-21-0
CAS Name: 2-hydroxybenzoic acid 2-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[[(2S)-1-methyl-2-pyrrolidinyl]-oxomethyl]amino]propyl]-2-oxanyl]thio]ethyl ester
OPENEYE Name: 2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propyl]tetrahydropyran-2-yl]sulfanylethyl 2-hydroxybenzoate
IUPAC Name: 2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
SYSTEMATIC NAME: 2-[(2S,3S,4R,5R,6S)-6-[(1R,2R)-2-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]carbonylamino]propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylethyl 2-oxidanylbenzoate
MOLECULAR FORMULA: C24H36N2O9S
MOLECULAR WEIGHT: 528.61564
SMILES: C[C@H]([C@H]([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)SCCOC(=O)C2=CC=CC=C2O)O)O)O)NC(=O)[C@@H]3CCCN3C)OC
Structure:

CAS RN: 11027-24-0
CAS Name: 2-hydroxybenzoic acid 2-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[[(2S)-1-methyl-2-pyrrolidinyl]-oxomethyl]amino]propyl]-2-oxanyl]thio]ethyl ester
OPENEYE Name: 2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propyl]tetrahydropyran-2-yl]sulfanylethyl 2-hydroxybenzoate
IUPAC Name: 2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
SYSTEMATIC NAME: 2-[(2S,3S,4R,5R,6S)-6-[(1R,2R)-2-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]carbonylamino]propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylethyl 2-oxidanylbenzoate
MOLECULAR FORMULA: C24H36N2O9S
MOLECULAR WEIGHT: 528.61564
SMILES: C[C@H]([C@H]([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)SCCOC(=O)C2=CC=CC=C2O)O)O)O)NC(=O)[C@@H]3CCCN3C)OC
Structure:

CAS RN: 31326-72-4
CAS Name: 2-hydroxybenzoic acid 2-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[[(2S)-1-methyl-2-pyrrolidinyl]-oxomethyl]amino]propyl]-2-oxanyl]thio]ethyl ester
OPENEYE Name: 2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propyl]tetrahydropyran-2-yl]sulfanylethyl 2-hydroxybenzoate
IUPAC Name: 2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
SYSTEMATIC NAME: 2-[(2S,3S,4R,5R,6S)-6-[(1R,2R)-2-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]carbonylamino]propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylethyl 2-oxidanylbenzoate
MOLECULAR FORMULA: C24H36N2O9S
MOLECULAR WEIGHT: 528.61564
SMILES: C[C@H]([C@H]([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)SCCOC(=O)C2=CC=CC=C2O)O)O)O)NC(=O)[C@@H]3CCCN3C)OC
Structure:

CAS RN: 5460-13-9
CAS Name: 2-hydroxybenzoic acid 2-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[[(2S)-1-methyl-2-pyrrolidinyl]-oxomethyl]amino]propyl]-2-oxanyl]thio]ethyl ester
OPENEYE Name: 2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propyl]tetrahydropyran-2-yl]sulfanylethyl 2-hydroxybenzoate
IUPAC Name: 2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
SYSTEMATIC NAME: 2-[(2S,3S,4R,5R,6S)-6-[(1R,2R)-2-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]carbonylamino]propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylethyl 2-oxidanylbenzoate
MOLECULAR FORMULA: C24H36N2O9S
MOLECULAR WEIGHT: 528.61564
SMILES: C[C@H]([C@H]([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)SCCOC(=O)C2=CC=CC=C2O)O)O)O)NC(=O)[C@@H]3CCCN3C)OC
Structure:

CAS RN: 95933-74-7
CAS Name: 4-[amino-(hydroxyamino)methylidene]-2,6-dihydroxy-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[amino-(hydroxyamino)methylene]-2,6-dihydroxy-cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[amino-(hydroxyamino)methylidene]-2,6-dihydroxycyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[azanyl-(oxidanylamino)methylidene]-2,6-bis(oxidanyl)cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C7H8N2O4
MOLECULAR WEIGHT: 184.14942
SMILES: C1=C(C(=O)C(=CC1=C(N)NO)O)O
Structure:

CAS RN: 137755-25-0
CAS Name: (2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]-N-[(2S,3R,4S,5S)-5-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]-3-methy
OPENEYE Name: (2S)-N-[(1S,2R,3S,4S)-1-benzyl-4-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-3-methyl-butanoyl]amino]-2,3-dihydroxy-5-phenyl-pentyl]-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-3-methyl-butanamide
IUPAC Name: (2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]-N-[(2S,3R,4S,5S)-5-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutanoyl]amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]-3-methylbutanamide
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]-N-[(2S,3R,4S,5S)-5-[[(2S)-2-[[(2S)-2-(tert-butylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]-3-methyl-butanoyl]amino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]-3-methyl-b
MOLECULAR FORMULA: C64H82N4O10S2
MOLECULAR WEIGHT: 1131.48668
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC4=CC=CC=C43)CS(=O)(=O)C(C)(C)C)O)O)NC(=O)[C@H](CC5=CC=CC6=CC=CC=C65)CS(=O)(=O)C(C)(C)C
Structure:

CAS RN: 10173-01-0
CAS Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6-dimethoxy-chromen-4-one
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one
SYSTEMATIC NAME: 3,6-dimethoxy-2-(3-methoxy-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C18H16O8
MOLECULAR WEIGHT: 360.31484
SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)O)OC)O)OC)O
Structure:

CAS RN: 23598-21-2
CAS Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 7-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C21H20O10
MOLECULAR WEIGHT: 432.3775
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O
Structure:

CAS RN: 16851-21-1
CAS Name: 8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one
OPENEYE Name: 8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chroman-3-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
IUPAC Name: 8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-8-[(2S,3R)-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl]-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C30H20O11
MOLECULAR WEIGHT: 556.4732
SMILES: C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC(=C(C=C6)O)O)O)O)O
Structure:

CAS RN: 150736-68-8
CAS Name: N-[(3S,5R)-3-hydroxy-6-[[(2S)-3-methyl-1-[[(2S)-1-(4-morpholinyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxo-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(2S,4R)-1,4-dibenzyl-5-[[(1S)-1-[[(1S)-1-benzyl-2-morpholino-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-hydroxy-5-oxo-pentyl]carbamate
IUPAC Name: tert-butyl N-[(3S,5R)-5-benzyl-3-hydroxy-6-[[(2S)-3-methyl-1-[[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(3S,5R)-6-[[(2S)-3-methyl-1-[[(2S)-1-morpholin-4-yl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate
MOLECULAR FORMULA: C42H56N4O7
MOLECULAR WEIGHT: 728.91664
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCOCC2)NC(=O)[C@H](CC3=CC=CC=C3)C[C@@H](C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C)O
Structure:

CAS RN: 6080-33-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24ClNO4
MOLECULAR WEIGHT: 365.85116
SMILES: CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC.Cl
Structure:

CAS RN: 1732-37-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H22O11
MOLECULAR WEIGHT: 546.47838
SMILES: CC1=CC(=C2C3=C1C(=O)C4[C@H]([C@@]3(COC2=O)[C@@H]5C4(C6=C7C(=COC(=O)C7=C(C=C6C)O)C5=O)OC)OC(=O)C)O
Structure:

CAS RN: 28058-35-7
CAS Name: (1E)-1-[[(5-nitro-2-pyridinyl)hydrazo]methylidene]-2-naphthalenone
OPENEYE Name: (1E)-1-[[2-(5-nitro-2-pyridyl)hydrazino]methylene]naphthalen-2-one
IUPAC Name: (1E)-1-[[2-(5-nitropyridin-2-yl)hydrazinyl]methylidene]naphthalen-2-one
SYSTEMATIC NAME: (1E)-1-[[2-(5-nitropyridin-2-yl)hydrazinyl]methylidene]naphthalen-2-one
MOLECULAR FORMULA: C16H12N4O3
MOLECULAR WEIGHT: 308.29148
SMILES: C1=CC=C\2C(=C1)C=CC(=O)/C2=C/NNC3=NC=C(C=C3)[N+](=O)[O-]
Structure:

CAS RN: 28058-36-8
CAS Name: (6Z)-2-methoxy-6-[[(5-nitro-2-pyridinyl)hydrazo]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-2-methoxy-6-[[2-(5-nitro-2-pyridyl)hydrazino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-2-methoxy-6-[[2-(5-nitropyridin-2-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-2-methoxy-6-[[2-(5-nitropyridin-2-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C13H12N4O4
MOLECULAR WEIGHT: 288.25878
SMILES: COC1=CC=C/C(=C/NNC2=NC=C(C=C2)[N+](=O)[O-])/C1=O
Structure:

CAS RN: 28058-38-0
CAS Name: (4Z)-3-hydroxy-4-[[(5-nitro-2-pyridinyl)hydrazo]methylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: (4Z)-3-hydroxy-4-[[2-(5-nitro-2-pyridyl)hydrazino]methylene]cyclohexa-2,5-dien-1-one
IUPAC Name: (4Z)-3-hydroxy-4-[[2-(5-nitropyridin-2-yl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: (4Z)-4-[[2-(5-nitropyridin-2-yl)hydrazinyl]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C12H10N4O4
MOLECULAR WEIGHT: 274.2322
SMILES: C1=C/C(=C/NNC2=NC=C(C=C2)[N+](=O)[O-])/C(=CC1=O)O
Structure:

CAS RN: 24458-25-1
CAS Name: (6Z)-6-[[(5-nitro-2-pyridinyl)hydrazo]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[2-(5-nitro-2-pyridyl)hydrazino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[2-(5-nitropyridin-2-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[2-(5-nitropyridin-2-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C12H10N4O3
MOLECULAR WEIGHT: 258.2328
SMILES: C1=C/C(=C/NNC2=NC=C(C=C2)[N+](=O)[O-])/C(=O)C=C1
Structure:

CAS RN: 22897-08-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H14O7
MOLECULAR WEIGHT: 354.31026
SMILES: COC1=C2C(=C(C=C1)O)C(=O)C3=C(C=C4C(=C3O2)[C@H]5C=CO[C@H]5O4)OC
Structure:

CAS RN: 50884-19-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H14O7
MOLECULAR WEIGHT: 354.31026
SMILES: COC1=C2C(=C(C=C1)O)C(=O)C3=C(C=C4C(=C3O2)[C@H]5C=CO[C@H]5O4)OC
Structure:

CAS RN: 13040-98-7
CAS Name: 4-[[[(Z)-[(4R,4aR,5aR,6R,12aR)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxymethyl]amino]methyl]-N-(diaminomethylidene)-1-piperazinecarboximidamide
OPENEYE Name: 4-[[[(Z)-[(4R,4aR,5aR,6R,12aR)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxy-methyl]amino]methyl]-N-(diaminomethylene)piperazine-1-carboxamidine
IUPAC Name: 4-[[[(Z)-[(4R,4aR,5aR,6R,12aR)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxymethyl]amino]methyl]-N-(diaminomethylidene)piperazine-1-carboximidamide
SYSTEMATIC NAME: 4-[[[(Z)-[(4R,4aR,5aR,6R,12aR)-4-(dimethylamino)-6-methyl-6,10,11,12a-tetrakis(oxidanyl)-1,3,12-tris(oxidanylidene)-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-oxidanyl-methyl]amino]methyl]-N-[bis(azanyl)methylidene]piperazine-1-carboximidamide
MOLECULAR FORMULA: C29H38N8O8
MOLECULAR WEIGHT: 626.66082
SMILES: C[C@]1([C@@H]2C[C@@H]3[C@H](C(=O)/C(=C(\NCN4CCN(CC4)C(=N)N=C(N)N)/O)/C(=O)[C@@]3(C(=O)C2=C(C5=C1C=CC=C5O)O)O)N(C)C)O
Structure:

CAS RN: 13040-98-7
CAS Name: 4-[[[(Z)-[(4R,4aR,5aR,6R,12aR)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxymethyl]amino]methyl]-N-(diaminomethylidene)-1-piperazinecarboximidamide dihydrochloride
OPENEYE Name: 4-[[[(Z)-[(4R,4aR,5aR,6R,12aR)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxy-methyl]amino]methyl]-N-(diaminomethylene)piperazine-1-carboxamidine dihydrochloride
IUPAC Name: 4-[[[(Z)-[(4R,4aR,5aR,6R,12aR)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxymethyl]amino]methyl]-N-(diaminomethylidene)piperazine-1-carboximidamide dihydrochloride
SYSTEMATIC NAME: 4-[[[(Z)-[(4R,4aR,5aR,6R,12aR)-4-(dimethylamino)-6-methyl-6,10,11,12a-tetrakis(oxidanyl)-1,3,12-tris(oxidanylidene)-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-oxidanyl-methyl]amino]methyl]-N-[bis(azanyl)methylidene]piperazine-1-carboximidamide dihydrochlorid
MOLECULAR FORMULA: C29H40Cl2N8O8
MOLECULAR WEIGHT: 699.5827
SMILES: C[C@]1([C@@H]2C[C@@H]3[C@H](C(=O)/C(=C(\NCN4CCN(CC4)C(=N)N=C(N)N)/O)/C(=O)[C@@]3(C(=O)C2=C(C5=C1C=CC=C5O)O)O)N(C)C)O.Cl.Cl
Structure:

CAS RN: 34938-47-1
CAS Name: N-(2-imidazolylideneamino)aniline
OPENEYE Name: N-(imidazol-2-ylideneamino)aniline
IUPAC Name: N-(imidazol-2-ylideneamino)aniline
SYSTEMATIC NAME: N-(imidazol-2-ylideneamino)aniline
MOLECULAR FORMULA: C9H8N4
MOLECULAR WEIGHT: 172.18662
SMILES: C1=CC=C(C=C1)NN=C2N=CC=N2
Structure:

No comments:

Post a Comment