CAS RN: 31385-63-4
CAS Name: 2-(5-bromo-2,4-dioxo-1-pyrimidinyl)acetate
OPENEYE Name: 2-(5-bromo-2,4-dioxo-pyrimidin-1-yl)acetate
IUPAC Name: 2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetate
SYSTEMATIC NAME: 2-[5-bromanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoate
MOLECULAR FORMULA: C6H4BrN2O4-
MOLECULAR WEIGHT: 248.01096
SMILES: C1=C(C(=O)NC(=O)N1CC(=O)[O-])Br
Structure:
CAS RN: 14742-39-3
CAS Name: 2-(2,3,5,6-tetrafluorophenoxy)acetate
OPENEYE Name: 2-(2,3,5,6-tetrafluorophenoxy)acetate
IUPAC Name: 2-(2,3,5,6-tetrafluorophenoxy)acetate
SYSTEMATIC NAME: 2-[2,3,5,6-tetrakis(fluoranyl)phenoxy]ethanoate
MOLECULAR FORMULA: C8H3F4O3-
MOLECULAR WEIGHT: 223.101233
SMILES: C1=C(C(=C(C(=C1F)F)OCC(=O)[O-])F)F
Structure:
CAS RN: 68254-10-4
CAS Name: 1-(4-chlorophenyl)-6-methyl-4-oxo-3-pyridazinecarboxylate
OPENEYE Name: 1-(4-chlorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxylate
IUPAC Name: 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
SYSTEMATIC NAME: 1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxylate
MOLECULAR FORMULA: C12H8ClN2O3-
MOLECULAR WEIGHT: 263.65652
SMILES: CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)[O-]
Structure:
CAS RN: 2217-02-9
CAS Name: (1S,3S,4R)-2,2,4-trimethyl-3-bicyclo[2.2.1]heptanol
OPENEYE Name: (1R,2S,4S)-1,3,3-trimethylnorbornan-2-ol
IUPAC Name: (1S,3S,4R)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol
SYSTEMATIC NAME: (1S,3S,4R)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: C[C@@]12CC[C@@H](C1)C([C@H]2O)(C)C
Structure:
CAS RN: 464-45-9
CAS Name: (1S,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanol
OPENEYE Name: (1S,2S,4S)-1,7,7-trimethylnorbornan-2-ol
IUPAC Name: (1S,3S,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
SYSTEMATIC NAME: (1S,3S,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: C[C@]12CC[C@H](C1(C)C)C[C@@H]2O
Structure:
CAS RN: 24286-13-3
CAS Name: (2S)-3-(4-aminophenyl)-2-ammoniopropanoate
OPENEYE Name: (2S)-3-(4-aminophenyl)-2-azaniumyl-propanoate
IUPAC Name: (2S)-3-(4-aminophenyl)-2-azaniumylpropanoate
SYSTEMATIC NAME: (2S)-3-(4-aminophenyl)-2-azaniumyl-propanoate
MOLECULAR FORMULA: C9H12N2O2
MOLECULAR WEIGHT: 180.20378
SMILES: C1=CC(=CC=C1C[C@@H](C(=O)[O-])[NH3+])N
Structure:
CAS RN: 60456-23-7
CAS Name: [(2S)-2-oxiranyl]methanol
OPENEYE Name: [(2S)-oxiran-2-yl]methanol
IUPAC Name: [(2S)-oxiran-2-yl]methanol
SYSTEMATIC NAME: [(2S)-oxiran-2-yl]methanol
MOLECULAR FORMULA: C3H6O2
MOLECULAR WEIGHT: 74.07854
SMILES: C1[C@@H](O1)CO
Structure:
CAS RN: 34592-47-7
CAS Name: (4R)-4-thiazolidin-3-iumcarboxylate
OPENEYE Name: (4R)-thiazolidin-3-ium-4-carboxylate
IUPAC Name: (4R)-1,3-thiazolidin-3-ium-4-carboxylate
SYSTEMATIC NAME: (4R)-1,3-thiazolidin-3-ium-4-carboxylate
MOLECULAR FORMULA: C4H7NO2S
MOLECULAR WEIGHT: 133.16888
SMILES: C1[C@H]([NH2+]CS1)C(=O)[O-]
Structure:
CAS RN: 24202-75-3
CAS Name: 4-carbamoyl-3-pyridinecarboxylate
OPENEYE Name: 4-carbamoylpyridine-3-carboxylate
IUPAC Name: 4-carbamoylpyridine-3-carboxylate
SYSTEMATIC NAME: 4-aminocarbonylpyridine-3-carboxylate
MOLECULAR FORMULA: C7H5N2O3-
MOLECULAR WEIGHT: 165.1262
SMILES: C1=CN=CC(=C1C(=O)N)C(=O)[O-]
Structure:
CAS RN: 17782-10-4
CAS Name: 2-(2,4-dimethylanilino)-3-pyridinecarboxylate
OPENEYE Name: 2-(2,4-dimethylanilino)pyridine-3-carboxylate
IUPAC Name: 2-(2,4-dimethylanilino)pyridine-3-carboxylate
SYSTEMATIC NAME: 2-[(2,4-dimethylphenyl)amino]pyridine-3-carboxylate
MOLECULAR FORMULA: C14H13N2O2-
MOLECULAR WEIGHT: 241.26522
SMILES: CC1=CC(=C(C=C1)NC2=C(C=CC=N2)C(=O)[O-])C
Structure:
CAS RN: 4394-10-9
CAS Name: 2-(4-ethoxyanilino)-3-pyridinecarboxylate
OPENEYE Name: 2-(4-ethoxyanilino)pyridine-3-carboxylate
IUPAC Name: 2-(4-ethoxyanilino)pyridine-3-carboxylate
SYSTEMATIC NAME: 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate
MOLECULAR FORMULA: C14H13N2O3-
MOLECULAR WEIGHT: 257.26462
SMILES: CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)[O-]
Structure:
CAS RN: 33012-75-8
CAS Name: (2R)-2-(carboxylatomethylammonio)propanoate
OPENEYE Name: (2R)-2-(carboxylatomethylammonio)propanoate
IUPAC Name: (2R)-2-(carboxylatomethylazaniumyl)propanoate
SYSTEMATIC NAME: (2R)-2-[(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]propanoate
MOLECULAR FORMULA: C5H8NO4-
MOLECULAR WEIGHT: 146.12132
SMILES: C[C@H](C(=O)[O-])[NH2+]CC(=O)[O-]
Structure:
CAS RN: 5427-26-9
CAS Name: 2-[(4R)-2,5-dioxo-4-imidazolidinyl]acetate
OPENEYE Name: 2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetate
IUPAC Name: 2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetate
SYSTEMATIC NAME: 2-[(4R)-2,5-bis(oxidanylidene)imidazolidin-4-yl]ethanoate
MOLECULAR FORMULA: C5H5N2O4-
MOLECULAR WEIGHT: 157.1042
SMILES: C([C@@H]1C(=O)NC(=O)N1)C(=O)[O-]
Structure:
CAS RN: 2584-71-6
CAS Name: (2R,4R)-4-hydroxy-2-pyrrolidin-1-iumcarboxylate
OPENEYE Name: (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate
IUPAC Name: (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate
SYSTEMATIC NAME: (2R,4R)-4-oxidanylpyrrolidin-1-ium-2-carboxylate
MOLECULAR FORMULA: C5H9NO3
MOLECULAR WEIGHT: 131.12986
SMILES: C1[C@H](C[NH2+][C@H]1C(=O)[O-])O
Structure:
CAS RN: 617-04-9
CAS Name: (2S,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
OPENEYE Name: (2S,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C7H14O6
MOLECULAR WEIGHT: 194.18246
SMILES: CO[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O
Structure:
CAS RN: 3059-97-0
CAS Name: (2R)-2-ammonio-2-methylbutanoate
OPENEYE Name: (2R)-2-azaniumyl-2-methyl-butanoate
IUPAC Name: (2R)-2-azaniumyl-2-methylbutanoate
SYSTEMATIC NAME: (2R)-2-azaniumyl-2-methyl-butanoate
MOLECULAR FORMULA: C5H11NO2
MOLECULAR WEIGHT: 117.14634
SMILES: CC[C@](C)(C(=O)[O-])[NH3+]
Structure:
CAS RN: 1758-80-1
CAS Name: (2S)-2,4-diammoniobutanoate
OPENEYE Name: (2S)-2,4-bis(azaniumyl)butanoate
IUPAC Name: (2S)-2,4-bis(azaniumyl)butanoate
SYSTEMATIC NAME: (2S)-2,4-bis(azaniumyl)butanoate
MOLECULAR FORMULA: C4H11N2O2+
MOLECULAR WEIGHT: 119.14234
SMILES: C(C[NH3+])[C@@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 1883-09-6
CAS Name: (2S)-2,4-diammoniobutanoate
OPENEYE Name: (2S)-2,4-bis(azaniumyl)butanoate
IUPAC Name: (2S)-2,4-bis(azaniumyl)butanoate
SYSTEMATIC NAME: (2S)-2,4-bis(azaniumyl)butanoate
MOLECULAR FORMULA: C4H11N2O2+
MOLECULAR WEIGHT: 119.14234
SMILES: C(C[NH3+])[C@@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 2623-91-8
CAS Name: (2R)-2-ammoniobutanoate
OPENEYE Name: (2R)-2-azaniumylbutanoate
IUPAC Name: (2R)-2-azaniumylbutanoate
SYSTEMATIC NAME: (2R)-2-azaniumylbutanoate
MOLECULAR FORMULA: C4H9NO2
MOLECULAR WEIGHT: 103.11976
SMILES: CC[C@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 81132-44-7
CAS Name: (2R)-2-ammonio-3-hydroxy-2-methylpropanoate
OPENEYE Name: (2R)-2-azaniumyl-3-hydroxy-2-methyl-propanoate
IUPAC Name: (2R)-2-azaniumyl-3-hydroxy-2-methylpropanoate
SYSTEMATIC NAME: (2R)-2-azaniumyl-2-methyl-3-oxidanyl-propanoate
MOLECULAR FORMULA: C4H9NO3
MOLECULAR WEIGHT: 119.11916
SMILES: C[C@@](CO)(C(=O)[O-])[NH3+]
Structure:
CAS RN: 3724-65-0
CAS Name: (E)-2-butenoate
OPENEYE Name: (E)-but-2-enoate
IUPAC Name: (E)-but-2-enoate
SYSTEMATIC NAME: (E)-but-2-enoate
MOLECULAR FORMULA: C4H5O2-
MOLECULAR WEIGHT: 85.0813
SMILES: C/C=C/C(=O)[O-]
Structure:
CAS RN: 6384-92-5
CAS Name: (2R)-2-(methylammonio)butanedioate
OPENEYE Name: (2R)-2-(methylammonio)butanedioate
IUPAC Name: (2R)-2-(methylazaniumyl)butanedioate
SYSTEMATIC NAME: (2R)-2-(methylazaniumyl)butanedioate
MOLECULAR FORMULA: C5H8NO4-
MOLECULAR WEIGHT: 146.12132
SMILES: C[NH2+][C@H](CC(=O)[O-])C(=O)[O-]
Structure:
CAS RN: 640-68-6
CAS Name: (2R)-2-ammonio-3-methylbutanoate
OPENEYE Name: (2R)-2-azaniumyl-3-methyl-butanoate
IUPAC Name: (2R)-2-azaniumyl-3-methylbutanoate
SYSTEMATIC NAME: (2R)-2-azaniumyl-3-methyl-butanoate
MOLECULAR FORMULA: C5H11NO2
MOLECULAR WEIGHT: 117.14634
SMILES: CC(C)[C@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 31137-74-3
CAS Name: (2S,4R)-2-ammonio-4-methylpentanedioate
OPENEYE Name: (2S,4R)-2-azaniumyl-4-methyl-pentanedioate
IUPAC Name: (2S,4R)-2-azaniumyl-4-methylpentanedioate
SYSTEMATIC NAME: (2S,4R)-2-azaniumyl-4-methyl-pentanedioate
MOLECULAR FORMULA: C6H10NO4-
MOLECULAR WEIGHT: 160.1479
SMILES: C[C@H](C[C@@H](C(=O)[O-])[NH3+])C(=O)[O-]
Structure:
CAS RN: 160806-12-2
CAS Name: (2S,4S)-2-ammonio-4-methylpentanedioate
OPENEYE Name: (2S,4S)-2-azaniumyl-4-methyl-pentanedioate
IUPAC Name: (2S,4S)-2-azaniumyl-4-methylpentanedioate
SYSTEMATIC NAME: (2S,4S)-2-azaniumyl-4-methyl-pentanedioate
MOLECULAR FORMULA: C6H10NO4-
MOLECULAR WEIGHT: 160.1479
SMILES: C[C@@H](C[C@@H](C(=O)[O-])[NH3+])C(=O)[O-]
Structure:
CAS RN: 3423-07-2
CAS Name: (1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol
OPENEYE Name: (1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol
IUPAC Name: (1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol
SYSTEMATIC NAME: (1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol
MOLECULAR FORMULA: C18H22NO3+
MOLECULAR WEIGHT: 300.37218
SMILES: C[NH+]1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)O)OC
Structure:
CAS RN: 625-72-9
CAS Name: (3R)-3-hydroxybutanoate
OPENEYE Name: (3R)-3-hydroxybutanoate
IUPAC Name: (3R)-3-hydroxybutanoate
SYSTEMATIC NAME: (3R)-3-oxidanylbutanoate
MOLECULAR FORMULA: C4H7O3-
MOLECULAR WEIGHT: 103.09658
SMILES: C[C@H](CC(=O)[O-])O
Structure:
CAS RN: 30565-25-4
CAS Name: 2-[carbamoyl(methyl)amino]acetate
OPENEYE Name: 2-[carbamoyl(methyl)amino]acetate
IUPAC Name: 2-[carbamoyl(methyl)amino]acetate
SYSTEMATIC NAME: 2-[aminocarbonyl(methyl)amino]ethanoate
MOLECULAR FORMULA: C4H7N2O3-
MOLECULAR WEIGHT: 131.10998
SMILES: CN(CC(=O)[O-])C(=O)N
Structure:
CAS RN: 2491-06-7
CAS Name: 2-(dimethylammonio)acetate
OPENEYE Name: 2-(dimethylammonio)acetate
IUPAC Name: 2-(dimethylazaniumyl)acetate
SYSTEMATIC NAME: 2-(dimethylazaniumyl)ethanoate
MOLECULAR FORMULA: C4H9NO2
MOLECULAR WEIGHT: 103.11976
SMILES: C[NH+](C)CC(=O)[O-]
Structure:
CAS RN: 24830-94-2
CAS Name: (2R,3R)-2-ammonio-3-hydroxybutanoate
OPENEYE Name: (2R,3R)-2-azaniumyl-3-hydroxy-butanoate
IUPAC Name: (2R,3R)-2-azaniumyl-3-hydroxybutanoate
SYSTEMATIC NAME: (2R,3R)-2-azaniumyl-3-oxidanyl-butanoate
MOLECULAR FORMULA: C4H9NO3
MOLECULAR WEIGHT: 119.11916
SMILES: C[C@H]([C@H](C(=O)[O-])[NH3+])O
Structure:
CAS RN: 147-85-3
CAS Name: (2S)-2-pyrrolidin-1-iumcarboxylate
OPENEYE Name: (2S)-pyrrolidin-1-ium-2-carboxylate
IUPAC Name: (2S)-pyrrolidin-1-ium-2-carboxylate
SYSTEMATIC NAME: (2S)-pyrrolidin-1-ium-2-carboxylate
MOLECULAR FORMULA: C5H9NO2
MOLECULAR WEIGHT: 115.13046
SMILES: C1C[C@H]([NH2+]C1)C(=O)[O-]
Structure:
CAS RN: 59-92-7
CAS Name: (2S)-2-ammonio-3-(3,4-dihydroxyphenyl)propanoate
OPENEYE Name: (2S)-2-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate
IUPAC Name: (2S)-2-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-3-[3,4-bis(oxidanyl)phenyl]propanoate
MOLECULAR FORMULA: C9H11NO4
MOLECULAR WEIGHT: 197.18794
SMILES: C1=CC(=C(C=C1C[C@@H](C(=O)[O-])[NH3+])O)O
Structure:
CAS RN: 672-15-1
CAS Name: (2S)-2-ammonio-4-hydroxybutanoate
OPENEYE Name: (2S)-2-azaniumyl-4-hydroxy-butanoate
IUPAC Name: (2S)-2-azaniumyl-4-hydroxybutanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-4-oxidanyl-butanoate
MOLECULAR FORMULA: C4H9NO3
MOLECULAR WEIGHT: 119.11916
SMILES: C(CO)[C@@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 72-18-4
CAS Name: (2S)-2-ammonio-3-methylbutanoate
OPENEYE Name: (2S)-2-azaniumyl-3-methyl-butanoate
IUPAC Name: (2S)-2-azaniumyl-3-methylbutanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-3-methyl-butanoate
MOLECULAR FORMULA: C5H11NO2
MOLECULAR WEIGHT: 117.14634
SMILES: CC(C)[C@@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 71-00-1
CAS Name: (2S)-2-ammonio-3-(1H-imidazol-5-yl)propanoate
OPENEYE Name: (2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoate
IUPAC Name: (2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoate
MOLECULAR FORMULA: C6H9N3O2
MOLECULAR WEIGHT: 155.15456
SMILES: C1=C(NC=N1)C[C@@H](C(=O)[O-])[NH3+]
Structure:
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