CAS RN: 10119-18-3
CAS Name: 3-pyridinecarboxamide
OPENEYE Name: pyridine-3-carboxamide
IUPAC Name: pyridine-3-carboxamide
SYSTEMATIC NAME: pyridine-3-carboxamide
MOLECULAR FORMULA: C6H6N2O
MOLECULAR WEIGHT: 124.117182
SMILES: C1=CC(=CN=C1)[14C](=O)N
Structure:
CAS RN: 313354-88-0
CAS Name: (2S,3R,4S)-2,3,4,5-tetrahydroxy-5,6-ditritiohexanal
OPENEYE Name: (2S,3R,4S)-2,3,4,5-tetrahydroxy-5,6-ditritio-hexanal
IUPAC Name: (2S,3R,4S)-2,3,4,5-tetrahydroxy-5,6-ditritiohexanal
SYSTEMATIC NAME: (2S,3R,4S)-2,3,4,5-tetrakis(oxidanyl)-5,6-ditritio-hexanal
MOLECULAR FORMULA: C6H12O5
MOLECULAR WEIGHT: 168.172699
SMILES: [3H]CC([3H])([C@H]([C@H]([C@@H](C=O)O)O)O)O
Structure:
CAS RN: 63741-19-5
CAS Name: [[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-sulfanylphosphinic acid
OPENEYE Name: [[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-sulfanyl-phosphinic acid
IUPAC Name: [[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-sulfanylphosphinic acid
SYSTEMATIC NAME: [[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid
MOLECULAR FORMULA: C10H16N5O13P3S
MOLECULAR WEIGHT: 542.150055
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)[35SH])O)O)NC(=NC2=O)N
Structure:
CAS RN: 15630-64-5
CAS Name: N-[3-[5,8-bis[3-[acetyl(oxido)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxidoacetamide; iron(3+)
OPENEYE Name: ferric N-[3-[5,8-bis[3-[acetyl(oxido)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxido-acetamide
IUPAC Name: N-[3-[5,8-bis[3-[acetyl(oxido)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxidoacetamide; iron(3+)
SYSTEMATIC NAME: N-[3-[5,8-bis[3-[ethanoyl(oxidanidyl)amino]propyl]-3,6,9,12,15,18-hexakis(oxidanylidene)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxidanidyl-ethanamide; iron(3+)
MOLECULAR FORMULA: C27H42FeN9O12
MOLECULAR WEIGHT: 740.52048
SMILES: CC(=O)N(CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NCC(=O)N1)CCCN(C(=O)C)[O-])CCCN(C(=O)C)[O-])[O-].[Fe+3]
Structure:
CAS RN: 37156-72-2
CAS Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] dihydroxyphosphoryl hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] dihydroxyphosphoryl hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] dihydroxyphosphoryl hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] bis(oxidanyl)phosphoryl hydrogen phosphate
MOLECULAR FORMULA: C10H16N5O14P3
MOLECULAR WEIGHT: 524.180569
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[32P](=O)(O)O)O)O)NC(=NC2=O)N
Structure:
CAS RN: 182362-38-5
CAS Name: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]hexacosanamide
OPENEYE Name: N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]hexacosanamide
IUPAC Name: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]hexacosanamide
SYSTEMATIC NAME: N-[(2S,3R)-1,3-bis(oxidanyl)octadecan-2-yl]hexacosanamide
MOLECULAR FORMULA: C44H89NO3
MOLECULAR WEIGHT: 680.18236
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O
Structure:
CAS RN: 821794-92-7
CAS Name: 1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-6-pyrrolo[2,3-d]pyrimidinyl]-2-fluoroethanone
OPENEYE Name: 1-[4-amino-7-(3-hydroxypropyl)-5-(p-tolyl)pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoro-ethanone
IUPAC Name: 1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethanone
SYSTEMATIC NAME: 1-[4-azanyl-5-(4-methylphenyl)-7-(3-oxidanylpropyl)pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoranyl-ethanone
MOLECULAR FORMULA: C18H19FN4O2
MOLECULAR WEIGHT: 342.367463
SMILES: CC1=CC=C(C=C1)C2=C(N(C3=C2C(=NC=N3)N)CCCO)C(=O)CF
Structure:
CAS RN: 263352-56-3
CAS Name: (2S,3R)-2-amino-4,5-ditritiooctadecane-1,3-diol
OPENEYE Name: (2S,3R)-2-amino-4,5-ditritio-octadecane-1,3-diol
IUPAC Name: (2S,3R)-2-amino-4,5-ditritiooctadecane-1,3-diol
SYSTEMATIC NAME: (2S,3R)-2-azanyl-4,5-ditritio-octadecane-1,3-diol
MOLECULAR FORMULA: C18H39NO2
MOLECULAR WEIGHT: 305.523979
SMILES: [3H]C(CCCCCCCCCCCCC)C([3H])[C@H]([C@H](CO)N)O
Structure:
CAS RN: 641571-10-0
CAS Name: 4-methyl-N-[3-(4-methyl-1-imidazolyl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzamide
OPENEYE Name: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]benzamide
IUPAC Name: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
SYSTEMATIC NAME: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
MOLECULAR FORMULA: C28H22F3N7O
MOLECULAR WEIGHT: 529.51579
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5
Structure:
CAS RN: 689295-72-5
CAS Name: (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furanyl)-6a,10b-dimethyl-4,10-dioxo-9-(1-oxoheptoxy)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f][2]benzopyran-7-carboxylic acid methyl ester
OPENEYE Name: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furyl)-9-heptanoyloxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
IUPAC Name: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-heptanoyloxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
SYSTEMATIC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-heptanoyloxy-6a,10b-dimethyl-4,10-bis(oxidanylidene)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
MOLECULAR FORMULA: C28H38O8
MOLECULAR WEIGHT: 502.59652
SMILES: CCCCCCC(=O)O[C@H]1C[C@H]([C@@]2(CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]2C1=O)C)C4=COC=C4)C)C(=O)OC
Structure:
CAS RN: 137330-49-5
CAS Name: (3R,4S,5S,6S)-5-(1-carboxyethenoxy)-6-fluoro-4-hydroxy-3-phosphonooxy-1-cyclohexenecarboxylic acid
OPENEYE Name: (3R,4S,5S,6S)-5-(1-carboxyvinyloxy)-6-fluoro-4-hydroxy-3-phosphonooxy-cyclohexene-1-carboxylic acid
IUPAC Name: (3R,4S,5S,6S)-5-(1-carboxyethenoxy)-6-fluoro-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid
SYSTEMATIC NAME: (3R,4S,5S,6S)-6-fluoranyl-4-oxidanyl-5-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxy-3-phosphonooxy-cyclohexene-1-carboxylic acid
MOLECULAR FORMULA: C10H12FO10P
MOLECULAR WEIGHT: 342.168444
SMILES: C=C(C(=O)O)O[C@H]1[C@@H]([C@@H](C=C([C@@H]1F)C(=O)O)OP(=O)(O)O)O
Structure:
CAS RN: 137234-10-7
CAS Name: (3R,4S,5S,6R)-5-(1-carboxyethenoxy)-6-fluoro-4-hydroxy-3-phosphonooxy-1-cyclohexenecarboxylic acid
OPENEYE Name: (3R,4S,5S,6R)-5-(1-carboxyvinyloxy)-6-fluoro-4-hydroxy-3-phosphonooxy-cyclohexene-1-carboxylic acid
IUPAC Name: (3R,4S,5S,6R)-5-(1-carboxyethenoxy)-6-fluoro-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid
SYSTEMATIC NAME: (3R,4S,5S,6R)-6-fluoranyl-4-oxidanyl-5-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxy-3-phosphonooxy-cyclohexene-1-carboxylic acid
MOLECULAR FORMULA: C10H12FO10P
MOLECULAR WEIGHT: 342.168444
SMILES: C=C(C(=O)O)O[C@H]1[C@@H]([C@@H](C=C([C@H]1F)C(=O)O)OP(=O)(O)O)O
Structure:
CAS RN: 64142-77-4
CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl phosphono hydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H15N5O10P2
MOLECULAR WEIGHT: 428.201268
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO[32P](=O)(O)OP(=O)(O)O)O)O
Structure:
CAS RN: 4468-22-8
CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H16N5O13P3
MOLECULAR WEIGHT: 508.181169
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO[32P](=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
Structure:
CAS RN: 14609-74-6
CAS Name: 4-nitrophenolate
OPENEYE Name: 4-nitrophenolate
IUPAC Name: 4-nitrophenolate
SYSTEMATIC NAME: 4-nitrophenolate
MOLECULAR FORMULA: C6H4NO3-
MOLECULAR WEIGHT: 138.10086
SMILES: C1=CC(=CC=C1[N+](=O)[O-])[O-]
Structure:
CAS RN: 201608-14-2
CAS Name: (4S)-4-[[(2S)-2-acetamido-3-carboxy-1-oxopropyl]amino]-5-[[(2S)-1-[[(2S)-3-carboxy-1-oxo-1-[[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: (4S)-4-[[(2S)-2-acetamido-3-carboxy-propanoyl]amino]-5-[[(1S)-1-[[(1S)-1-(carboxymethyl)-2-oxo-2-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]ethyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-3-carboxy-1-oxo-1-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-3-methyl-1-[[(2S)-4-oxidanyl-1,4-bis(oxidanylidene)-1-[[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]amino]butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene
MOLECULAR FORMULA: C30H34F3N5O13
MOLECULAR WEIGHT: 729.61187
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C
Structure:
CAS RN: 406726-77-0
CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[4-(1H-indol-3-yl)-1-oxobutyl]amino]propanoic acid
OPENEYE Name: (2S)-3-(1H-indol-3-yl)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
SYSTEMATIC NAME: (2S)-3-(1H-indol-3-yl)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
MOLECULAR FORMULA: C23H23N3O3
MOLECULAR WEIGHT: 389.44702
SMILES: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O
Structure:
CAS RN: 118546-30-8
CAS Name: (2S)-2-[[4-(1H-indol-3-yl)-1-oxobutyl]amino]propanoic acid
OPENEYE Name: (2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
IUPAC Name: (2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
MOLECULAR FORMULA: C15H18N2O3
MOLECULAR WEIGHT: 274.31502
SMILES: C[C@@H](C(=O)O)NC(=O)CCCC1=CNC2=CC=CC=C21
Structure:
CAS RN: 57105-53-0
CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]propanoic acid
OPENEYE Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoic acid
IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-3-(1H-indol-3-yl)-2-[2-(1H-indol-3-yl)ethanoylamino]propanoic acid
MOLECULAR FORMULA: C21H19N3O3
MOLECULAR WEIGHT: 361.39386
SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)CC3=CNC4=CC=CC=C43
Structure:
CAS RN: 57105-50-7
CAS Name: (2S)-2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[2-(1H-indol-3-yl)ethanoylamino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C19H18N2O3
MOLECULAR WEIGHT: 322.35782
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CC2=CNC3=CC=CC=C32
Structure:
CAS RN: 57105-45-0
CAS Name: (2S,3S)-2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]-3-methylpentanoic acid
OPENEYE Name: (2S,3S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methyl-pentanoic acid
IUPAC Name: (2S,3S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylpentanoic acid
SYSTEMATIC NAME: (2S,3S)-2-[2-(1H-indol-3-yl)ethanoylamino]-3-methyl-pentanoic acid
MOLECULAR FORMULA: C16H20N2O3
MOLECULAR WEIGHT: 288.3416
SMILES: CC[C@H](C)[C@@H](C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21
Structure:
CAS RN: 57105-39-2
CAS Name: (2S)-2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]propanoic acid
OPENEYE Name: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoic acid
IUPAC Name: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[2-(1H-indol-3-yl)ethanoylamino]propanoic acid
MOLECULAR FORMULA: C13H14N2O3
MOLECULAR WEIGHT: 246.26186
SMILES: C[C@@H](C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21
Structure:
CAS RN: 185320-98-3
CAS Name: 1-decanone
OPENEYE Name: decan-1-one
IUPAC Name: decan-1-one
SYSTEMATIC NAME: decan-1-one
MOLECULAR FORMULA: C10H19O+
MOLECULAR WEIGHT: 155.25726
SMILES: CCCCCCCCC[C+]=O
Structure:
No comments:
Post a Comment