Sunday, November 27, 2011

http://ChemLookup.com Compounds




CAS RN: 79050-06-9
CAS Name: 7-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-benzopyran-3-carboxamide
OPENEYE Name: 7-hydroxy-N-(2-hydroxyethyl)-2-oxo-chromene-3-carboxamide
IUPAC Name: 7-hydroxy-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-7-oxidanyl-2-oxidanylidene-chromene-3-carboxamide
MOLECULAR FORMULA: C12H11NO5
MOLECULAR WEIGHT: 249.21944
SMILES: C1=CC2=C(C=C1O)OC(=O)C(=C2)C(=O)NCCO
Structure:

CAS RN: 171197-16-3
CAS Name: (E)-2-[cyclopropyl(oxo)methyl]-3-hydroxy-3-[3-methyl-4-(trifluoromethyl)anilino]-2-propenenitrile
OPENEYE Name: (E)-2-(cyclopropanecarbonyl)-3-hydroxy-3-[3-methyl-4-(trifluoromethyl)anilino]prop-2-enenitrile
IUPAC Name: (E)-2-(cyclopropanecarbonyl)-3-hydroxy-3-[3-methyl-4-(trifluoromethyl)anilino]prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-cyclopropylcarbonyl-3-[[3-methyl-4-(trifluoromethyl)phenyl]amino]-3-oxidanyl-prop-2-enenitrile
MOLECULAR FORMULA: C15H13F3N2O2
MOLECULAR WEIGHT: 310.27113
SMILES: CC1=C(C=CC(=C1)N/C(=C(/C#N)\C(=O)C2CC2)/O)C(F)(F)F
Structure:

CAS RN: 156616-24-9
CAS Name: 4-[[(2S)-1-[[(2S)-1-[[[(2S)-1-(4-chloro-3-oxo-1-phenylbutan-2-yl)-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
OPENEYE Name: 4-[[(1S)-2-[[(1S)-2-[[(2S)-1-(1-benzyl-3-chloro-2-oxo-propyl)pyrrolidine-2-carbonyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: 4-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-chloro-3-oxo-1-phenylbutan-2-yl)pyrrolidine-2-carbonyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-chloranyl-3-oxidanylidene-1-phenyl-butan-2-yl)pyrrolidin-2-yl]carbonylamino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C25H33ClN4O7
MOLECULAR WEIGHT: 537.00512
SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)NC(=O)[C@@H]1CCCN1C(CC2=CC=CC=C2)C(=O)CCl)NC(=O)CCC(=O)O
Structure:

CAS RN: 156368-88-6
CAS Name: (2Z)-N-[3-[3-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]propyl-[[(2Z,4S,5R)-5-methyl-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-oxazolidinyl]-oxomethyl]amino]propyl]-5-methyl-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-oxazolidinecarboxamide
OPENEYE Name: (2Z)-N-[3-[3-[(2,3-dihydroxybenzoyl)amino]propyl-[(2Z,4S,5R)-5-methyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)oxazolidine-4-carbonyl]amino]propyl]-5-methyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)oxazolidine-4-carboxamide
IUPAC Name: (2Z)-N-[3-[3-[(2,3-dihydroxybenzoyl)amino]propyl-[(2Z,4S,5R)-5-methyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidine-4-carbonyl]amino]propyl]-5-methyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidine-4-carboxamide
SYSTEMATIC NAME: (2Z)-N-[3-[3-[[2,3-bis(oxidanyl)phenyl]carbonylamino]propyl-[[(2Z,4S,5R)-5-methyl-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidin-4-yl]carbonyl]amino]propyl]-5-methyl-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidine-4-carboxa
MOLECULAR FORMULA: C35H39N5O9
MOLECULAR WEIGHT: 673.71226
SMILES: C[C@@H]1[C@H](N/C(=C/2\C=CC=CC2=O)/O1)C(=O)N(CCCNC(=O)C3C(O/C(=C\4/C=CC=CC4=O)/N3)C)CCCNC(=O)C5=C(C(=CC=C5)O)O
Structure:

CAS RN: 156364-04-4
CAS Name: (3E)-3-(5-methoxy-3H-1,3,4-oxadiazol-2-ylidene)-6-(phenylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
OPENEYE Name: (3E)-6-benzyl-3-(5-methoxy-3H-1,3,4-oxadiazol-2-ylidene)-7,8-dihydro-5H-1,6-naphthyridin-2-one
IUPAC Name: (3E)-6-benzyl-3-(5-methoxy-3H-1,3,4-oxadiazol-2-ylidene)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SYSTEMATIC NAME: (3E)-3-(5-methoxy-3H-1,3,4-oxadiazol-2-ylidene)-6-(phenylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
MOLECULAR FORMULA: C18H18N4O3
MOLECULAR WEIGHT: 338.36052
SMILES: COC1=NN/C(=C\2/C=C3CN(CCC3=NC2=O)CC4=CC=CC=C4)/O1
Structure:

CAS RN: 155895-89-9
CAS Name: (2S)-2-[[(2S,3R)-2-(mercaptomethyl)-1-oxo-3-phenylbutyl]amino]propanoic acid
OPENEYE Name: (2S)-2-[[(2S,3R)-3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid
IUPAC Name: (2S)-2-[[(2S,3R)-3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S,3R)-3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid
MOLECULAR FORMULA: C14H19NO3S
MOLECULAR WEIGHT: 281.37056
SMILES: C[C@@H](C1=CC=CC=C1)[C@H](CS)C(=O)N[C@@H](C)C(=O)O
Structure:

CAS RN: 154445-07-5
CAS Name: N-[(E)-[(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-1,3,12-trioxo-4a,5,5a,6-tetrahydro-4H-tetracen-2-ylidene]-hydroxymethyl]-2-(dimethylamino)acetamide
OPENEYE Name: N-[(E)-[(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-1,3,12-trioxo-4a,5,5a,6-tetrahydro-4H-tetracen-2-ylidene]-hydroxy-methyl]-2-(dimethylamino)acetamide
IUPAC Name: N-[(E)-[(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-1,3,12-trioxo-4a,5,5a,6-tetrahydro-4H-tetracen-2-ylidene]-hydroxymethyl]-2-(dimethylamino)acetamide
SYSTEMATIC NAME: N-[(E)-[(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-10,11,12a-tris(oxidanyl)-1,3,12-tris(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-tetracen-2-ylidene]-oxidanyl-methyl]-2-(dimethylamino)ethanamide
MOLECULAR FORMULA: C27H34N4O8
MOLECULAR WEIGHT: 542.58086
SMILES: CN(C)CC(=O)N/C(=C\1/C(=O)[C@H]([C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C1=O)O)O)O)N(C)C)N(C)C)/O
Structure:

CAS RN: 150624-46-7
CAS Name: N-(6,7-dihydroxy-2-oxo-1-benzopyran-3-yl)formamide
OPENEYE Name: N-(6,7-dihydroxy-2-oxo-chromen-3-yl)formamide
IUPAC Name: N-(6,7-dihydroxy-2-oxochromen-3-yl)formamide
SYSTEMATIC NAME: N-[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]methanamide
MOLECULAR FORMULA: C10H7NO5
MOLECULAR WEIGHT: 221.16628
SMILES: C1=C2C=C(C(=O)OC2=CC(=C1O)O)NC=O
Structure:

CAS RN: 78700-74-0
CAS Name: 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]acetic acid
OPENEYE Name: 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]acetic acid
IUPAC Name: 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoic acid
MOLECULAR FORMULA: C23H28N4O6
MOLECULAR WEIGHT: 456.49162
SMILES: C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:

CAS RN: 149847-87-0
CAS Name: 3-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-one
OPENEYE Name: 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-one
IUPAC Name: 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-one
SYSTEMATIC NAME: 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-one
MOLECULAR FORMULA: C22H25N5O2
MOLECULAR WEIGHT: 391.4662
SMILES: COC1=CC=CC=C1N2CCN(CC2)CC3CN=C4N3C(=O)NC5=CC=CC=C54
Structure:

CAS RN: 149697-29-0
CAS Name: 2,4-dichloro-N-hydroxy-6-nitrobenzamide
OPENEYE Name: 2,4-dichloro-6-nitro-benzenecarbohydroxamic acid
IUPAC Name: 2,4-dichloro-N-hydroxy-6-nitrobenzamide
SYSTEMATIC NAME: 2,4-bis(chloranyl)-6-nitro-N-oxidanyl-benzamide
MOLECULAR FORMULA: C7H4Cl2N2O4
MOLECULAR WEIGHT: 251.02366
SMILES: C1=C(C=C(C(=C1Cl)C(=O)NO)[N+](=O)[O-])Cl
Structure:

CAS RN: 149578-82-5
CAS Name: (2E)-1-propan-2-yl-2-[(1-propan-2-yl-4-quinolin-1-iumyl)methylidene]quinoline
OPENEYE Name: (2E)-1-isopropyl-2-[(1-isopropylquinolin-1-ium-4-yl)methylene]quinoline
IUPAC Name: (2E)-1-propan-2-yl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline
SYSTEMATIC NAME: (2E)-1-propan-2-yl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline
MOLECULAR FORMULA: C25H27N2+
MOLECULAR WEIGHT: 355.49528
SMILES: CC(C)N1/C(=C/C2=CC=[N+](C3=CC=CC=C23)C(C)C)/C=CC4=CC=CC=C41
Structure:

CAS RN: 149017-67-4
CAS Name: (2S)-2-amino-5-[[amino(methylimino)methyl]amino]pentanoic acid; 4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]benzenesulfonic acid
OPENEYE Name: (2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid; 4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]benzenesulfonic acid
IUPAC Name: (2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid; 4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid; 4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid
MOLECULAR FORMULA: C31H36N8O10S2
MOLECULAR WEIGHT: 744.79514
SMILES: CN=C(N)NCCC[C@@H](C(=O)O)N.C1=CC(=O)C=CC1=NNC2=CC=C(C=C2)S(=O)(=O)O.C1=CC(=O)C=CC1=NNC2=CC=C(C=C2)S(=O)(=O)O
Structure:

CAS RN: 148741-30-4
CAS Name: (E)-3-amino-2-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-mercapto-2-propenenitrile
OPENEYE Name: (E)-3-amino-2-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile
IUPAC Name: (E)-3-amino-2-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanylprop-2-enenitrile
SYSTEMATIC NAME: (E)-3-azanyl-2-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile
MOLECULAR FORMULA: C18H24N2OS
MOLECULAR WEIGHT: 316.46096
SMILES: CC(C)(C)C1=CC(=C/C(=C(/N)\S)/C#N)C=C(C1=O)C(C)(C)C
Structure:

CAS RN: 148473-36-3
CAS Name: (2S)-2-[[(2S,3S)-2-[[(2R)-4-(hydroxyamino)-1,4-dioxo-2-(phenylmethyl)butyl]amino]-3-methyl-1-oxopentyl]amino]-4-methylpentanoic acid
OPENEYE Name: (2S)-2-[[(2S,3S)-2-[[(2R)-2-benzyl-4-(hydroxyamino)-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid
IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: (2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-[[(2R)-4-(oxidanylamino)-4-oxidanylidene-2-(phenylmethyl)butanoyl]amino]pentanoyl]amino]pentanoic acid
MOLECULAR FORMULA: C23H35N3O6
MOLECULAR WEIGHT: 449.5405
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)CC(=O)NO
Structure:

CAS RN: 77946-49-7
CAS Name: (2E)-2-[amino(phenyl)methylidene]-1-benzothiophen-3-one
OPENEYE Name: (2E)-2-[amino(phenyl)methylene]benzothiophen-3-one
IUPAC Name: (2E)-2-[amino(phenyl)methylidene]-1-benzothiophen-3-one
SYSTEMATIC NAME: (2E)-2-[azanyl(phenyl)methylidene]-1-benzothiophen-3-one
MOLECULAR FORMULA: C15H11NOS
MOLECULAR WEIGHT: 253.31894
SMILES: C1=CC=C(C=C1)/C(=C\2/C(=O)C3=CC=CC=C3S2)/N
Structure:

CAS RN: 146163-06-6
CAS Name: (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide
OPENEYE Name: (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-methyl-pentanoyl]amino]-N-[(1S)-1-[[(1S)-2-[[(1S)-1-carbamoyl-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]hexanamide
IUPAC Name: (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide
SYSTEMATIC NAME: (2S)-6-azanyl-N-[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]hexanami
MOLECULAR FORMULA: C28H54N8O7
MOLECULAR WEIGHT: 614.77776
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](CO)N
Structure:

CAS RN: 145937-28-6
CAS Name: 3-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one
IUPAC Name: 3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C28H32O17
MOLECULAR WEIGHT: 640.54348
SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
Structure:

CAS RN: 145671-08-5
CAS Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-3-(4-hydroxyphenyl)-1-oxo-2-(1-oxohexadecylamino)propyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]propanoic acid
OPENEYE Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(hexadecanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-oxo-butanoyl]amino]propanoic acid
IUPAC Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(hexadecanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(hexadecanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]propanoic acid
MOLECULAR FORMULA: C38H62N6O11
MOLECULAR WEIGHT: 778.93248
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)O
Structure:

CAS RN: 145644-16-2
CAS Name: (2S)-2-[[(4R)-1-oxo-4-[(1R,3S,5S,7R,10S,12S,13R,17R)-1,3,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]propanoic acid
OPENEYE Name: (2S)-2-[[(4R)-4-[(1R,3S,5S,7R,10S,12S,13R,17R)-1,3,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propanoic acid
IUPAC Name: (2S)-2-[[(4R)-4-[(1R,3S,5S,7R,10S,12S,13R,17R)-1,3,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(4R)-4-[(1R,3S,5S,7R,10S,12S,13R,17R)-10,13-dimethyl-1,3,7,12-tetrakis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propanoic acid
MOLECULAR FORMULA: C27H45NO7
MOLECULAR WEIGHT: 495.6487
SMILES: C[C@H](CCC(=O)N[C@@H](C)C(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3([C@@H](C[C@H](C4)O)O)C)O)O)C
Structure:

CAS RN: 145435-20-7
CAS Name: (2S,3R)-2-amino-3-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]butanoic acid
OPENEYE Name: (2S,3R)-2-amino-3-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-butanoic acid
IUPAC Name: (2S,3R)-2-amino-3-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybutanoic acid
SYSTEMATIC NAME: (2S,3R)-2-azanyl-3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-butanoic acid
MOLECULAR FORMULA: C16H29NO13
MOLECULAR WEIGHT: 443.40036
SMILES: C[C@H]([C@@H](C(=O)O)N)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Structure:

CAS RN: 145079-49-8
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]-3-hydroxy-1-oxopropyl]amino]propanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-azanylpropanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoic acid
MOLECULAR FORMULA: C22H34N5O12P
MOLECULAR WEIGHT: 591.505421
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)N)O
Structure:

CAS RN: 87958-67-6
CAS Name: 1-methyl-3-[(Z)-(4-oxo-3-prop-2-enyl-2-thiazolidinylidene)amino]thiourea
OPENEYE Name: 1-[(Z)-(3-allyl-4-oxo-thiazolidin-2-ylidene)amino]-3-methyl-thiourea
IUPAC Name: 1-methyl-3-[(Z)-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-methyl-3-[(Z)-(4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]thiourea
MOLECULAR FORMULA: C8H12N4OS2
MOLECULAR WEIGHT: 244.33708
SMILES: CNC(=S)N/N=C\1/N(C(=O)CS1)CC=C
Structure:

CAS RN: 144597-19-3
CAS Name: N-[1-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2,5-dioxocyclopentyl]-N-propan-2-ylcarbamic acid (4-nitrophenyl) ester
OPENEYE Name: (4-nitrophenyl) N-[1-[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-2,5-dioxo-cyclopentyl]-N-isopropyl-carbamate
IUPAC Name: (4-nitrophenyl) N-[1-[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-2,5-dioxocyclopentyl]-N-propan-2-ylcarbamate
SYSTEMATIC NAME: (4-nitrophenyl) N-[1-[(2S)-1-[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonyl-2,5-bis(oxidanylidene)cyclopentyl]-N-propan-2-yl-carbamate
MOLECULAR FORMULA: C26H33N5O9
MOLECULAR WEIGHT: 559.56832
SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)C2(C(=O)CCC2=O)N(C(C)C)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])N
Structure:

CAS RN: 144527-25-3
CAS Name: (2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxope
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amin
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrroli
MOLECULAR FORMULA: C52H81N15O11
MOLECULAR WEIGHT: 1092.29344
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N
Structure:

CAS RN: 144499-88-7
CAS Name: N-[(2S)-1-[[(2R)-2-[[(2S,4S)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[(1S)-1-[[(2R)-2-[[(1S,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-4-methyl-pentyl]amino]-4-methyl-pentanoyl]carbamoyl]-3-methyl-butyl]carbamate
IUPAC Name: ethyl N-[(2S)-1-[[(2R)-2-[[(2S,4S)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl]amino]-4-methylpentanoyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[(2S)-1-[[(2R)-2-[[(2S,4S)-1-cyclohexyl-5-methyl-3,4-bis(oxidanyl)hexan-2-yl]amino]-4-methyl-pentanoyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
MOLECULAR FORMULA: C28H53N3O6
MOLECULAR WEIGHT: 527.73692
SMILES: CCOC(=O)N[C@@H](CC(C)C)C(=O)NC(=O)[C@@H](CC(C)C)N[C@@H](CC1CCCCC1)C([C@H](C(C)C)O)O
Structure:

CAS RN: 144398-31-2
CAS Name: 5-[[(2S)-1-[[(2S)-1-[[(2S)-2-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: 5-[[(1S)-1-methyl-2-[[(1S)-1-methyl-2-[[(2S)-2-[(4-methyl-2-oxo-chromen-7-yl)amino]-3-phenyl-propanoyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
IUPAC Name: 5-[[(2S)-1-[[(2S)-1-[[(2S)-2-[(4-methyl-2-oxochromen-7-yl)amino]-3-phenylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[[(2S)-1-[[(2S)-1-[[(2S)-2-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-3-phenyl-propanoyl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C30H34N4O8
MOLECULAR WEIGHT: 578.61296
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)N[C@@H](CC3=CC=CC=C3)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCC(=O)O
Structure:

CAS RN: 144119-83-5
CAS Name: (3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]
OPENEYE Name: (3S)-4-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S,2R)-1-[[(1S)-2-[[(1S)-3-amino-1-[[(1S)-2-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]a
IUPAC Name: (3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]
SYSTEMATIC NAME: (3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanyl-1,4-b
MOLECULAR FORMULA: C55H76N14O21
MOLECULAR WEIGHT: 1269.27314
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CN=CN3)N)O
Structure:

CAS RN: 143986-29-2
CAS Name: 1,5-dihydroxy-3-methoxy-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-9-xanthenone
OPENEYE Name: 1,5-dihydroxy-3-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-xanthen-9-one
IUPAC Name: 1,5-dihydroxy-3-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one
SYSTEMATIC NAME: 8-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methoxy-1,5-bis(oxidanyl)xanthen-9-one
MOLECULAR FORMULA: C26H30O16
MOLECULAR WEIGHT: 598.5068
SMILES: COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)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)O)O)O
Structure:

CAS RN: 143839-79-6
CAS Name: N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]pentyl]amino]-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1S)-1-[[(2S)-2-[(1-benzyl-2-oxo-ethyl)amino]-4-methyl-pentanoyl]carbamoyl]-3-methyl-butyl]carbamate
IUPAC Name: benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-2-[(1-oxo-3-phenylpropan-2-yl)amino]pentanoyl]amino]-1-oxopentan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-4-methyl-1-[[(2S)-4-methyl-2-[(1-oxidanylidene-3-phenyl-propan-2-yl)amino]pentanoyl]amino]-1-oxidanylidene-pentan-2-yl]carbamate
MOLECULAR FORMULA: C29H39N3O5
MOLECULAR WEIGHT: 509.63706
SMILES: CC(C)C[C@@H](C(=O)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1)NC(CC2=CC=CC=C2)C=O
Structure:

CAS RN: 142764-75-8
CAS Name: 2-(4-methoxyphenyl)-5-[5-(4-methyl-1-piperazinyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine
OPENEYE Name: 2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine
IUPAC Name: 2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C24H24N8O
MOLECULAR WEIGHT: 440.50036
SMILES: CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=NC5=C(C=C4)NC(=N5)C6=CC=C(C=C6)OC
Structure:

CAS RN: 142755-07-5
CAS Name: 1-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-3-methyl-1-butanamine
OPENEYE Name: 1-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-3-methyl-butan-1-amine
IUPAC Name: 1-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-3-methylbutan-1-amine
SYSTEMATIC NAME: 1-(7-bromanyl-9H-pyrido[3,4-b]indol-1-yl)-3-methyl-butan-1-amine
MOLECULAR FORMULA: C16H18BrN3
MOLECULAR WEIGHT: 332.23822
SMILES: CC(C)CC(C1=NC=CC2=C1NC3=C2C=CC(=C3)Br)N
Structure:

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