(2S,3S)-2-[(4-chloranyl-1-methyl-pyrrol-2-yl)carbonylamino]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[(4-chloranyl-1-methyl-pyrrol-2-yl)carbonylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-2-[(4-chloro-1-methyl-pyrrole-2-carbonyl)amino]-3-hydroxy-butanoate CAS Name: (2S,3S)-2-[[(4-chloro-1-methyl-2-pyrrolyl)-oxomethyl]amino]-3-hydroxybutanoate IUPAC Name: (2S,3S)-2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybutanoate Traditional Name: (2S,3S)-2-[(4-chloro-1-methyl-pyrrole-2-carbonyl)amino]-3-hydroxy-butyrate Formula: C10H12ClN2O4- MolecularWeight: 259.66628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC(=O)C1=CC(=CN1C)Cl)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])NC(=O)C1=CC(=CN1C)Cl)O

InChI

InChI=1S/C10H13ClN2O4/c1-5(14)8(10(16)17)12-9(15)7-3-6(11)4-13(7)2/h3-5,8,14H,1-2H3,(H,12,15)(H,16,17)/p-1/t5-,8-/m0/s1