(2S)-3-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoic acid Traditional Name: (2S)-3-methyl-2-[(4-pyrrolidinosulfonylbenzoyl)amino]butyric acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5S/c1-11(2)14(16(20)21)17-15(19)12-5-7-13(8-6-12)24(22,23)18-9-3-4-10-18/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,19)(H,20,21)/t14-/m0/s1