(2S)-3-[4-(2-methoxyphenyl)phenyl]-2-[[3-(phenylsulfonyl)piperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-[4-(2-methoxyphenyl)phenyl]-2-[[3-(phenylsulfonyl)piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[3-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-[4-(2-methoxyphenyl)phenyl]propanoic acid CAS Name: (2S)-2-[[[3-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-3-[4-(2-methoxyphenyl)phenyl]propanoic acid IUPAC Name: (2S)-2-[[3-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-[4-(2-methoxyphenyl)phenyl]propanoic acid Traditional Name: (2S)-2-[(3-besylnipecotoyl)amino]-3-[4-(2-methoxyphenyl)phenyl]propionic acid Formula: C28H30N2O6S MolecularWeight: 522.6126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3(CCCNC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3(CCCNC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O6S/c1-36-25-11-6-5-10-23(25)21-14-12-20(13-15-21)18-24(26(31)32)30-27(33)28(16-7-17-29-19-28)37(34,35)22-8-3-2-4-9-22/h2-6,8-15,24,29H,7,16-19H2,1H3,(H,30,33)(H,31,32)/t24-,28?/m0/s1