(2S,3S)-2-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-3-hydroxy-2-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[[[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-[(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoate Traditional Name: (2S,3S)-3-hydroxy-2-[(2-methyl-5-pyrrolidinosulfonyl-benzoyl)amino]butyrate Formula: C16H21N2O6S- MolecularWeight: 369.41274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC(C(C)O)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N[C@@H]([C@H](C)O)C(=O)[O-]

InChI

InChI=1S/C16H22N2O6S/c1-10-5-6-12(25(23,24)18-7-3-4-8-18)9-13(10)15(20)17-14(11(2)19)16(21)22/h5-6,9,11,14,19H,3-4,7-8H2,1-2H3,(H,17,20)(H,21,22)/p-1/t11-,14-/m0/s1