(2S,3S)-2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-3-hydroxy-butanoate CAS Name: (2S,3S)-2-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-3-hydroxybutanoate IUPAC Name: (2S,3S)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-3-hydroxybutanoate Traditional Name: (2S,3S)-2-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]-3-hydroxy-butyrate Formula: C15H18ClN2O6S- MolecularWeight: 389.83122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2)O

InChI

InChI=1S/C15H19ClN2O6S/c1-9(19)13(15(21)22)17-14(20)10-4-5-11(16)12(8-10)25(23,24)18-6-2-3-7-18/h4-5,8-9,13,19H,2-3,6-7H2,1H3,(H,17,20)(H,21,22)/p-1/t9-,13-/m0/s1