(2S)-3-methyl-2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]butanoic acid Openeye Name: (2S)-2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(1-besylnipecotoyl)amino]-3-methyl-butyric acid Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H24N2O5S/c1-12(2)15(17(21)22)18-16(20)13-7-6-10-19(11-13)25(23,24)14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3,(H,18,20)(H,21,22)/t13?,15-/m0/s1