(2R,3S)-2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-pentanoate

Systemtic Name: (2R,3S)-2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-pentanoate Openeye Name: (2R,3S)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2R,3S)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]-3-methyl-valerate Formula: C17H22ClN2O5S- MolecularWeight: 401.88498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O5S/c1-3-11(2)15(17(22)23)19-16(21)12-6-7-13(18)14(10-12)26(24,25)20-8-4-5-9-20/h6-7,10-11,15H,3-5,8-9H2,1-2H3,(H,19,21)(H,22,23)/p-1/t11-,15+/m0/s1