CAS RN: 608-53-7
CAS Name: (2R,3S,4S)-2,3,4,5-tetrahydroxypentanoate
OPENEYE Name: (2R,3S,4S)-2,3,4,5-tetrahydroxypentanoate
IUPAC Name: (2R,3S,4S)-2,3,4,5-tetrahydroxypentanoate
SYSTEMATIC NAME: (2R,3S,4S)-2,3,4,5-tetrakis(oxidanyl)pentanoate
MOLECULAR FORMULA: C5H9O6-
MOLECULAR WEIGHT: 165.12136
SMILES: C([C@@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O
Structure:
CAS RN: 5289-74-7
CAS Name: (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
OPENEYE Name: (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
IUPAC Name: (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: (2S,3R,5R,9R,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3,6-tris(oxidanyl)heptan-2-yl]-2,3,14-tris(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C27H44O7
MOLECULAR WEIGHT: 480.63406
SMILES: C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O
Structure:
CAS RN: 142394-84-1
CAS Name: 11-(3-amino-3-carboxy-1-oxopropyl)-5-hydroxy-1-oxo-4,12-dihydropyrido[3,2-a]phenoxazine-3-carboxylic acid
OPENEYE Name: 11-(3-amino-3-carboxy-propanoyl)-5-hydroxy-1-oxo-4,12-dihydropyrido[3,2-a]phenoxazine-3-carboxylic acid
IUPAC Name: 11-(3-amino-3-carboxypropanoyl)-5-hydroxy-1-oxo-4,12-dihydropyrido[3,2-a]phenoxazine-3-carboxylic acid
SYSTEMATIC NAME: 11-(3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)-5-oxidanyl-1-oxidanylidene-4,12-dihydropyrido[3,2-a]phenoxazine-3-carboxylic acid
MOLECULAR FORMULA: C20H15N3O8
MOLECULAR WEIGHT: 425.3484
SMILES: C1=CC(=C2C(=C1)OC3=CC(=C4C(=C3N2)C(=O)C=C(N4)C(=O)O)O)C(=O)CC(C(=O)O)N
Structure:
CAS RN: 651-54-7
CAS Name: (3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,5S,9R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H44O
MOLECULAR WEIGHT: 384.63766
SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
CAS RN: 467-02-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H17NO3
MOLECULAR WEIGHT: 283.32178
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)C=C4
Structure:
CAS RN: 60802-29-1
CAS Name: [(2R,3S)-2,3,5-trihydroxy-4-oxopentyl] phosphate
OPENEYE Name: [(2R,3S)-2,3,5-trihydroxy-4-oxo-pentyl] phosphate
IUPAC Name: [(2R,3S)-2,3,5-trihydroxy-4-oxopentyl] phosphate
SYSTEMATIC NAME: [(2R,3S)-2,3,5-tris(oxidanyl)-4-oxidanylidene-pentyl] phosphate
MOLECULAR FORMULA: C5H9O8P-2
MOLECULAR WEIGHT: 228.093921
SMILES: C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)([O-])[O-]
Structure:
CAS RN: 636-61-3
CAS Name: (2R)-2-hydroxybutanedioate
OPENEYE Name: (2R)-2-hydroxybutanedioate
IUPAC Name: (2R)-2-hydroxybutanedioate
SYSTEMATIC NAME: (2R)-2-oxidanylbutanedioate
MOLECULAR FORMULA: C4H4O5-2
MOLECULAR WEIGHT: 132.07156
SMILES: C([C@H](C(=O)[O-])O)C(=O)[O-]
Structure:
CAS RN: 6915-15-7
CAS Name: (2S)-2-hydroxybutanedioate
OPENEYE Name: (2S)-2-hydroxybutanedioate
IUPAC Name: (2S)-2-hydroxybutanedioate
SYSTEMATIC NAME: (2S)-2-oxidanylbutanedioate
MOLECULAR FORMULA: C4H4O5-2
MOLECULAR WEIGHT: 132.07156
SMILES: C([C@@H](C(=O)[O-])O)C(=O)[O-]
Structure:
CAS RN: 89304-26-7
CAS Name: 1-hydroxy-3-oxopropane-1,2,3-tricarboxylate
OPENEYE Name: 1-hydroxy-3-oxo-propane-1,2,3-tricarboxylate
IUPAC Name: 1-hydroxy-3-oxopropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: 1-oxidanyl-3-oxidanylidene-propane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C6H3O8-3
MOLECULAR WEIGHT: 203.08322
SMILES: C(C(C(=O)[O-])O)(C(=O)C(=O)[O-])C(=O)[O-]
Structure:
CAS RN: 2311-81-1
CAS Name: (2S)-2-[[[4-[[(6S)-2-amino-5-methanimidoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[[(6S)-2-amino-5-methanimidoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[[(6S)-2-amino-5-methanimidoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[[(6S)-2-azanyl-5-(iminomethyl)-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H24N8O6
MOLECULAR WEIGHT: 472.45456
SMILES: C1[C@@H](N(C2=C(N1)NC(=NC2=O)N)C=N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 30810-51-6
CAS Name: (1R,2S)-1-hydroxypropane-1,2,3-tricarboxylate
OPENEYE Name: (1R,2S)-1-hydroxypropane-1,2,3-tricarboxylate
IUPAC Name: (1R,2S)-1-hydroxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: (1R,2S)-1-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C6H5O7-3
MOLECULAR WEIGHT: 189.0997
SMILES: C([C@@H]([C@H](C(=O)[O-])O)C(=O)[O-])C(=O)[O-]
Structure:
CAS RN: 603-17-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H74N4O5
MOLECULAR WEIGHT: 871.19986
SMILES: CCC1=C2C=C3C(=C4C(=O)[C@@H](C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=CC(=C1C)N2)N6)C=C)C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(=O)OC)C
Structure:
CAS RN: 100759-86-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H74N4O5
MOLECULAR WEIGHT: 871.19986
SMILES: CCC1=C2C=C3C(=C4C(=O)[C@@H](C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=CC(=C1C)N2)N6)C=C)C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(=O)OC)C
Structure:
CAS RN: 15113-35-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H74N4O5
MOLECULAR WEIGHT: 871.19986
SMILES: CCC1=C2C=C3C(=C4C(=O)[C@@H](C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=CC(=C1C)N2)N6)C=C)C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(=O)OC)C
Structure:
CAS RN: 178157-11-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H74N4O5
MOLECULAR WEIGHT: 871.19986
SMILES: CCC1=C2C=C3C(=C4C(=O)[C@@H](C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=CC(=C1C)N2)N6)C=C)C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(=O)OC)C
Structure:
CAS RN: 28553-18-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H74N4O5
MOLECULAR WEIGHT: 871.19986
SMILES: CCC1=C2C=C3C(=C4C(=O)[C@@H](C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=CC(=C1C)N2)N6)C=C)C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(=O)OC)C
Structure:
CAS RN: 37231-51-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H74N4O5
MOLECULAR WEIGHT: 871.19986
SMILES: CCC1=C2C=C3C(=C4C(=O)[C@@H](C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=CC(=C1C)N2)N6)C=C)C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(=O)OC)C
Structure:
CAS RN: 37281-15-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H74N4O5
MOLECULAR WEIGHT: 871.19986
SMILES: CCC1=C2C=C3C(=C4C(=O)[C@@H](C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=CC(=C1C)N2)N6)C=C)C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(=O)OC)C
Structure:
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