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

Systemtic Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylnipecotoyl]amino]-3-phenyl-propionic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H26N2O6S/c1-30-18-9-11-19(12-10-18)31(28,29)24-13-5-8-17(15-24)21(25)23-20(22(26)27)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,17,20H,5,8,13-15H2,1H3,(H,23,25)(H,26,27)/t17?,20-/m0/s1