(2S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[1-(4-acetamidophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylisonipecotoyl]amino]-3-phenyl-propionic acid Formula: C23H27N3O6S MolecularWeight: 473.54198

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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(CC3=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](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H27N3O6S/c1-16(27)24-19-7-9-20(10-8-19)33(31,32)26-13-11-18(12-14-26)22(28)25-21(23(29)30)15-17-5-3-2-4-6-17/h2-10,18,21H,11-15H2,1H3,(H,24,27)(H,25,28)(H,29,30)/t21-/m0/s1