CAS RN: 5988-19-2
CAS Name: (4S)-2,6-dioxo-1,3-diazinane-4-carboxylate
OPENEYE Name: (4S)-2,6-dioxohexahydropyrimidine-4-carboxylate
IUPAC Name: (4S)-2,6-dioxo-1,3-diazinane-4-carboxylate
SYSTEMATIC NAME: (4S)-2,6-bis(oxidanylidene)-1,3-diazinane-4-carboxylate
MOLECULAR FORMULA: C5H5N2O4-
MOLECULAR WEIGHT: 157.1042
SMILES: C1[C@H](NC(=O)NC1=O)C(=O)[O-]
Structure:
CAS RN: 155-54-4
CAS Name: (4S)-2,6-dioxo-1,3-diazinane-4-carboxylate
OPENEYE Name: (4S)-2,6-dioxohexahydropyrimidine-4-carboxylate
IUPAC Name: (4S)-2,6-dioxo-1,3-diazinane-4-carboxylate
SYSTEMATIC NAME: (4S)-2,6-bis(oxidanylidene)-1,3-diazinane-4-carboxylate
MOLECULAR FORMULA: C5H5N2O4-
MOLECULAR WEIGHT: 157.1042
SMILES: C1[C@H](NC(=O)NC1=O)C(=O)[O-]
Structure:
CAS RN: 6236-10-8
CAS Name: (2R)-2-hydroxy-2-methylbutanedioate
OPENEYE Name: (2R)-2-hydroxy-2-methyl-butanedioate
IUPAC Name: (2R)-2-hydroxy-2-methylbutanedioate
SYSTEMATIC NAME: (2R)-2-methyl-2-oxidanyl-butanedioate
MOLECULAR FORMULA: C5H6O5-2
MOLECULAR WEIGHT: 146.09814
SMILES: C[C@@](CC(=O)[O-])(C(=O)[O-])O
Structure:
CAS RN: 6236-10-8
CAS Name: (2S)-2-hydroxy-2-methylbutanedioate
OPENEYE Name: (2S)-2-hydroxy-2-methyl-butanedioate
IUPAC Name: (2S)-2-hydroxy-2-methylbutanedioate
SYSTEMATIC NAME: (2S)-2-methyl-2-oxidanyl-butanedioate
MOLECULAR FORMULA: C5H6O5-2
MOLECULAR WEIGHT: 146.09814
SMILES: C[C@](CC(=O)[O-])(C(=O)[O-])O
Structure:
CAS RN: 506-32-1
CAS Name: (5Z,8Z,11Z,14Z)-eicosa-5,8,11,14-tetraenoate
OPENEYE Name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
IUPAC Name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
SYSTEMATIC NAME: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
MOLECULAR FORMULA: C20H31O2-
MOLECULAR WEIGHT: 303.45894
SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-]
Structure:
CAS RN: 96738-35-1
CAS Name: (3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid
OPENEYE Name: (3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid
IUPAC Name: (3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid
SYSTEMATIC NAME: (3S,4S)-3-oxidanyltetradecane-1,3,4-tricarboxylic acid
MOLECULAR FORMULA: C17H30O7
MOLECULAR WEIGHT: 346.4159
SMILES: CCCCCCCCCC[C@H](C(=O)O)[C@@](CCC(=O)O)(C(=O)O)O
Structure:
CAS RN: 115-06-0
CAS Name: (Z)-9-octadecenoate
OPENEYE Name: (Z)-octadec-9-enoate
IUPAC Name: (Z)-octadec-9-enoate
SYSTEMATIC NAME: (Z)-octadec-9-enoate
MOLECULAR FORMULA: C18H33O2-
MOLECULAR WEIGHT: 281.45342
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)[O-]
Structure:
CAS RN: 2627-73-8
CAS Name: (4R,5S,6R)-4,5,6-trihydroxy-2-oxo-7-phosphonatooxyheptanoate
OPENEYE Name: (4R,5S,6R)-4,5,6-trihydroxy-2-oxo-7-phosphonatooxy-heptanoate
IUPAC Name: (4R,5S,6R)-4,5,6-trihydroxy-2-oxo-7-phosphonatooxyheptanoate
SYSTEMATIC NAME: (4R,5S,6R)-4,5,6-tris(oxidanyl)-2-oxidanylidene-7-phosphonatooxy-heptanoate
MOLECULAR FORMULA: C7H10O10P-3
MOLECULAR WEIGHT: 285.122061
SMILES: C([C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O)C(=O)C(=O)[O-]
Structure:
CAS RN: 13095-47-1
CAS Name: (2R)-2-hydroxypentanedioate
OPENEYE Name: (2R)-2-hydroxypentanedioate
IUPAC Name: (2R)-2-hydroxypentanedioate
SYSTEMATIC NAME: (2R)-2-oxidanylpentanedioate
MOLECULAR FORMULA: C5H6O5-2
MOLECULAR WEIGHT: 146.09814
SMILES: C(CC(=O)[O-])[C@H](C(=O)[O-])O
Structure:
CAS RN: 18534-66-2
CAS Name: cobalt; [(2R,3S,4R,5S)-5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] [(2R)-1-[[1-oxo-3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octameth
OPENEYE Name: cobalt; [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(1R)-1-methyl-2-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,1
IUPAC Name: cobalt; [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,
SYSTEMATIC NAME: cobalt; [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,1
MOLECULAR FORMULA: C62H88CoN13O14P-2
MOLECULAR WEIGHT: 1329.347781
SMILES: CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C
Structure:
CAS RN: 496-55-9
CAS Name: (3R)-1,3,4-trihydroxy-2-butanone
OPENEYE Name: (3R)-1,3,4-trihydroxybutan-2-one
IUPAC Name: (3R)-1,3,4-trihydroxybutan-2-one
SYSTEMATIC NAME: (3R)-1,3,4-tris(oxidanyl)butan-2-one
MOLECULAR FORMULA: C4H8O4
MOLECULAR WEIGHT: 120.10392
SMILES: C([C@H](C(=O)CO)O)O
Structure:
CAS RN: 604-99-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22N2O
MOLECULAR WEIGHT: 294.39078
SMILES: C/C=C\1/CN2[C@H]3C[C@@H]1C([C@@H]2CC4=C3NC5=CC=CC=C45)CO
Structure:
CAS RN: 63555-59-9
CAS Name: (2R)-2-[(3S)-3-[[2-(hydroxyamino)-1-oxo-2-(4-oxo-1-cyclohexa-2,5-dienylidene)ethyl]amino]-2-oxo-1-azetidinyl]-2-(4-hydroxyphenyl)acetic acid
OPENEYE Name: (2R)-2-[(3S)-3-[[2-(hydroxyamino)-2-(4-oxocyclohexa-2,5-dien-1-ylidene)acetyl]amino]-2-oxo-azetidin-1-yl]-2-(4-hydroxyphenyl)acetic acid
IUPAC Name: (2R)-2-[(3S)-3-[[2-(hydroxyamino)-2-(4-oxocyclohexa-2,5-dien-1-ylidene)acetyl]amino]-2-oxoazetidin-1-yl]-2-(4-hydroxyphenyl)acetic acid
SYSTEMATIC NAME: (2R)-2-(4-hydroxyphenyl)-2-[(3S)-3-[[2-(oxidanylamino)-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethanoyl]amino]-2-oxidanylidene-azetidin-1-yl]ethanoic acid
MOLECULAR FORMULA: C19H17N3O7
MOLECULAR WEIGHT: 399.35418
SMILES: C1[C@@H](C(=O)N1[C@H](C2=CC=C(C=C2)O)C(=O)O)NC(=O)C(=C3C=CC(=O)C=C3)NO
Structure:
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