(2S)-2-phenyl-2-[[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: (2S)-2-phenyl-2-[[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]ethanoic acid Openeye Name: (2S)-2-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[[(3S)-1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-2-phenylacetic acid Traditional Name: (2S)-2-[[(3S)-1-besylnipecotoyl]amino]-2-phenyl-acetic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H22N2O5S/c23-19(21-18(20(24)25)15-8-3-1-4-9-15)16-10-7-13-22(14-16)28(26,27)17-11-5-2-6-12-17/h1-6,8-9,11-12,16,18H,7,10,13-14H2,(H,21,23)(H,24,25)/t16-,18-/m0/s1