(2S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]carbonylamino]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]carbonylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[[1-(4-acetamidophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-phenylacetic acid Traditional Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylisonipecotoyl]amino]-2-phenyl-acetic acid Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H25N3O6S/c1-15(26)23-18-7-9-19(10-8-18)32(30,31)25-13-11-17(12-14-25)21(27)24-20(22(28)29)16-5-3-2-4-6-16/h2-10,17,20H,11-14H2,1H3,(H,23,26)(H,24,27)(H,28,29)/t20-/m0/s1