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

Systemtic Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[(3S)-1-(4-acetamidophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylnipecotoyl]amino]-3-phenyl-propionate Formula: C23H26N3O6S- MolecularWeight: 472.53404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C23H27N3O6S/c1-16(27)24-19-9-11-20(12-10-19)33(31,32)26-13-5-8-18(15-26)22(28)25-21(23(29)30)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,18,21H,5,8,13-15H2,1H3,(H,24,27)(H,25,28)(H,29,30)/p-1/t18-,21-/m0/s1