2-methyl-4-phenyl-3-[[4-phenyl-1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]butanoic acid

Systemtic Name: 2-methyl-4-phenyl-3-[[4-phenyl-1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]butanoic acid Openeye Name: 3-[[1-(benzenesulfonyl)-4-phenyl-piperidine-4-carbonyl]amino]-2-methyl-4-phenyl-butanoic acid CAS Name: 3-[[[1-(benzenesulfonyl)-4-phenyl-4-piperidinyl]-oxomethyl]amino]-2-methyl-4-phenylbutanoic acid IUPAC Name: 3-[[1-(benzenesulfonyl)-4-phenylpiperidine-4-carbonyl]amino]-2-methyl-4-phenylbutanoic acid Traditional Name: 3-[(1-besyl-4-phenyl-isonipecotoyl)amino]-2-methyl-4-phenyl-butyric acid Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC=C1)NC(=O)C2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C(CC1=CC=CC=C1)NC(=O)C2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H32N2O5S/c1-22(27(32)33)26(21-23-11-5-2-6-12-23)30-28(34)29(24-13-7-3-8-14-24)17-19-31(20-18-29)37(35,36)25-15-9-4-10-16-25/h2-16,22,26H,17-21H2,1H3,(H,30,34)(H,32,33)