CAS RN: 130146-19-9
CAS Name: 2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-4-isoxazolyl)methyl]-3-oxo-4-isoxazolyl]propanoic acid
OPENEYE Name: 2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-isoxazol-4-yl)methyl]-3-oxo-isoxazol-4-yl]propanoic acid
IUPAC Name: 2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-1,2-oxazol-4-yl)methyl]-3-oxo-1,2-oxazol-4-yl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[5-methyl-2-[(5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)methyl]-3-oxidanylidene-1,2-oxazol-4-yl]propanoic acid
MOLECULAR FORMULA: C12H15N3O6
MOLECULAR WEIGHT: 297.264
SMILES: CC1=C(C(=O)N(O1)CC2=C(ONC2=O)C)CC(C(=O)O)N
Structure:
CAS RN: 131417-67-9
CAS Name: 2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-4-isoxazolyl)methyl]-3-oxo-4-isoxazolyl]propanoic acid
OPENEYE Name: 2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-isoxazol-4-yl)methyl]-3-oxo-isoxazol-4-yl]propanoic acid
IUPAC Name: 2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-1,2-oxazol-4-yl)methyl]-3-oxo-1,2-oxazol-4-yl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[5-methyl-2-[(5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)methyl]-3-oxidanylidene-1,2-oxazol-4-yl]propanoic acid
MOLECULAR FORMULA: C12H15N3O6
MOLECULAR WEIGHT: 297.264
SMILES: CC1=C(C(=O)N(O1)CC2=C(ONC2=O)C)CC(C(=O)O)N
Structure:
CAS RN: 130146-18-8
CAS Name: 2-amino-3-[3-(carboxymethoxy)-5-methyl-4-isoxazolyl]propanoic acid
OPENEYE Name: 2-amino-3-[3-(carboxymethoxy)-5-methyl-isoxazol-4-yl]propanoic acid
IUPAC Name: 2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[3-(2-hydroxy-2-oxoethyloxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid
MOLECULAR FORMULA: C9H12N2O6
MOLECULAR WEIGHT: 244.20138
SMILES: CC1=C(C(=NO1)OCC(=O)O)CC(C(=O)O)N
Structure:
CAS RN: 131417-68-0
CAS Name: 2-amino-3-[3-(carboxymethoxy)-5-methyl-4-isoxazolyl]propanoic acid
OPENEYE Name: 2-amino-3-[3-(carboxymethoxy)-5-methyl-isoxazol-4-yl]propanoic acid
IUPAC Name: 2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[3-(2-hydroxy-2-oxoethyloxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid
MOLECULAR FORMULA: C9H12N2O6
MOLECULAR WEIGHT: 244.20138
SMILES: CC1=C(C(=NO1)OCC(=O)O)CC(C(=O)O)N
Structure:
CAS RN: 130063-43-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H16O2
MOLECULAR WEIGHT: 336.38264
SMILES: C1=CC=C2C(=C1)C=C3C(C(C4=CC=CC5=C4C3=C2C6=CC=CC=C56)O)O
Structure:
CAS RN: 129999-77-5
CAS Name: nitric acid 2-(4-piperidinyl)ethyl ester
OPENEYE Name: 2-(4-piperidyl)ethyl nitrate
IUPAC Name: 2-piperidin-4-ylethyl nitrate
SYSTEMATIC NAME: 2-piperidin-4-ylethyl nitrate
MOLECULAR FORMULA: C7H14N2O3
MOLECULAR WEIGHT: 174.19766
SMILES: C1CNCCC1CCO[N+](=O)[O-]
Structure:
CAS RN: 129982-32-7
CAS Name: 2-amino-9-[[(2S)-2-(hydroxymethyl)cyclohexyl]methyl]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[[(2S)-2-(hydroxymethyl)cyclohexyl]methyl]-3H-purin-6-one
IUPAC Name: 2-amino-9-[[(2S)-2-(hydroxymethyl)cyclohexyl]methyl]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[[(2S)-2-(hydroxymethyl)cyclohexyl]methyl]-3H-purin-6-one
MOLECULAR FORMULA: C13H19N5O2
MOLECULAR WEIGHT: 277.32226
SMILES: C1CCC([C@H](C1)CO)CN2C=NC3=C2NC(=NC3=O)N
Structure:
CAS RN: 20146-63-8
CAS Name: 1-pyrenecarboxylic acid
OPENEYE Name: pyrene-1-carboxylic acid
IUPAC Name: pyrene-1-carboxylic acid
SYSTEMATIC NAME: pyrene-1-carboxylic acid
MOLECULAR FORMULA: C17H10O2
MOLECULAR WEIGHT: 246.2601
SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)O
Structure:
CAS RN: 129732-90-7
CAS Name: (2R,3S,5R)-5-(2-amino-6-phenylmethoxy-9-purinyl)-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: (2R,3S,5R)-5-(2-amino-6-benzyloxy-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: (2R,3S,5R)-5-(2-amino-6-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: (2R,3S,5R)-5-(2-azanyl-6-phenylmethoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C17H19N5O4
MOLECULAR WEIGHT: 357.36386
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N)CO)O
Structure:
CAS RN: 129724-72-7
CAS Name: (1S,6S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol
OPENEYE Name: (1S,6S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol
IUPAC Name: (1S,6S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol
SYSTEMATIC NAME: (1S,6S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol
MOLECULAR FORMULA: C8H15NO3
MOLECULAR WEIGHT: 173.2096
SMILES: C1CN2C[C@H](C[C@@H]([C@H]2[C@H]1O)O)O
Structure:
CAS RN: 129706-46-3
CAS Name: 4-[[5-[(3R)-3-dithiolanyl]-1-oxopentyl]amino]benzoic acid
OPENEYE Name: 4-[5-[(3R)-dithiolan-3-yl]pentanoylamino]benzoic acid
IUPAC Name: 4-[5-[(3R)-dithiolan-3-yl]pentanoylamino]benzoic acid
SYSTEMATIC NAME: 4-[5-[(3R)-1,2-dithiolan-3-yl]pentanoylamino]benzoic acid
MOLECULAR FORMULA: C15H19NO3S2
MOLECULAR WEIGHT: 325.44626
SMILES: C1CSS[C@@H]1CCCCC(=O)NC2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 129693-89-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H11N2+
MOLECULAR WEIGHT: 219.26124
SMILES: C[N+]1=CC2=C3C(=C1)C=CC4=CN=CC(=C43)C=C2
Structure:
CAS RN: 129580-10-5
CAS Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-(methoxymethyl)-2-pyrimidinone
OPENEYE Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(methoxymethyl)pyrimidin-2-one
IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one
MOLECULAR FORMULA: C11H17N3O5
MOLECULAR WEIGHT: 271.26978
SMILES: COCC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)O
Structure:
CAS RN: 129564-92-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H20N2O5
MOLECULAR WEIGHT: 380.3939
SMILES: COC1=CC(=CC(=C1O)OC)[C@@H]2C3=C(C[C@@H]4N2C(=O)OC4)C5=CC=CC=C5N3
Structure:
CAS RN: 129531-96-0
CAS Name: 4-amino-5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylene-2-oxolanyl]-2-pyrimidinone
OPENEYE Name: 4-amino-5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylene-tetrahydrofuran-2-yl]pyrimidin-2-one
IUPAC Name: 4-amino-5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-5-fluoranyl-1-[(2R,4S,5R)-5-(hydroxymethyl)-3-methylidene-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one
MOLECULAR FORMULA: C10H12FN3O4
MOLECULAR WEIGHT: 257.218383
SMILES: C=C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)CO)O
Structure:
CAS RN: 129476-58-0
CAS Name: 1-(4-ethoxyphenyl)-2-propanamine
OPENEYE Name: 1-(4-ethoxyphenyl)propan-2-amine
IUPAC Name: 1-(4-ethoxyphenyl)propan-2-amine
SYSTEMATIC NAME: 1-(4-ethoxyphenyl)propan-2-amine
MOLECULAR FORMULA: C11H17NO
MOLECULAR WEIGHT: 179.25878
SMILES: CCOC1=CC=C(C=C1)CC(C)N
Structure:
CAS RN: 122178-49-8
CAS Name: 1-(2-bromoethylamino)-3-(2-nitro-1-imidazolyl)-2-propanol hydrobromide
OPENEYE Name: 1-(2-bromoethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrobromide
IUPAC Name: 1-(2-bromoethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrobromide
SYSTEMATIC NAME: 1-(2-bromoethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrobromide
MOLECULAR FORMULA: C8H14Br2N4O3
MOLECULAR WEIGHT: 374.02976
SMILES: C1=CN(C(=N1)[N+](=O)[O-])CC(CNCCBr)O.Br
Structure:
CAS RN: 123708-77-0
CAS Name: 1-(2-bromoethylamino)-3-(2-nitro-1-imidazolyl)-2-propanol hydrobromide
OPENEYE Name: 1-(2-bromoethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrobromide
IUPAC Name: 1-(2-bromoethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrobromide
SYSTEMATIC NAME: 1-(2-bromoethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrobromide
MOLECULAR FORMULA: C8H14Br2N4O3
MOLECULAR WEIGHT: 374.02976
SMILES: C1=CN(C(=N1)[N+](=O)[O-])CC(CNCCBr)O.Br
Structure:
CAS RN: 129448-97-1
CAS Name: 1-(2-bromoethylamino)-3-(2-nitro-1-imidazolyl)-2-propanol hydrobromide
OPENEYE Name: 1-(2-bromoethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrobromide
IUPAC Name: 1-(2-bromoethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrobromide
SYSTEMATIC NAME: 1-(2-bromoethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrobromide
MOLECULAR FORMULA: C8H14Br2N4O3
MOLECULAR WEIGHT: 374.02976
SMILES: C1=CN(C(=N1)[N+](=O)[O-])CC(CNCCBr)O.Br
Structure:
CAS RN: 129415-27-6
CAS Name: (1S,2R,6S,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol
OPENEYE Name: (1S,2R,6S,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol
IUPAC Name: (1S,2R,6S,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol
SYSTEMATIC NAME: (1S,2R,6S,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol
MOLECULAR FORMULA: C7H13NO4
MOLECULAR WEIGHT: 175.18242
SMILES: C1[C@H]([C@H](C2N1C[C@@H]([C@@H]2O)O)O)O
Structure:
CAS RN: 129401-88-3
CAS Name: 1-(4-phenyl-1-piperazinyl)-2-propen-1-one
OPENEYE Name: 1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
IUPAC Name: 1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
SYSTEMATIC NAME: 1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
MOLECULAR FORMULA: C13H16N2O
MOLECULAR WEIGHT: 216.27894
SMILES: C=CC(=O)N1CCN(CC1)C2=CC=CC=C2
Structure:
CAS RN: 129365-02-2
CAS Name: (2R)-2-amino-3-[(2-iodo-1-oxoethyl)amino]propanoic acid
OPENEYE Name: (2R)-2-amino-3-[(2-iodoacetyl)amino]propanoic acid
IUPAC Name: (2R)-2-amino-3-[(2-iodoacetyl)amino]propanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-(2-iodanylethanoylamino)propanoic acid
MOLECULAR FORMULA: C5H9IN2O3
MOLECULAR WEIGHT: 272.04103
SMILES: C([C@H](C(=O)O)N)NC(=O)CI
Structure:
CAS RN: 129299-72-5
CAS Name: 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
OPENEYE Name: 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
IUPAC Name: 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
SYSTEMATIC NAME: 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
MOLECULAR FORMULA: C18H19N3O
MOLECULAR WEIGHT: 293.36296
SMILES: CC1=C2CCC(C(=O)N2C3=CC=CC=C13)CC4=C(NC=N4)C
Structure:
CAS RN: 129299-06-5
CAS Name: carbamic acid [(3R,6R,7S,8S)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-2-oxaspiro[2.5]octan-6-yl] ester
OPENEYE Name: [(3R,6R,7S,8S)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] carbamate
IUPAC Name: [(3R,6R,7S,8S)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] carbamate
SYSTEMATIC NAME: [(3R,6R,7S,8S)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] carbamate
MOLECULAR FORMULA: C17H27NO5
MOLECULAR WEIGHT: 325.39998
SMILES: CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N)OC)C
Structure:
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