(2S)-3-phenyl-2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-phenyl-2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(1-besylnipecotoyl)amino]-3-phenyl-propionic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H24N2O5S/c24-20(22-19(21(25)26)14-16-8-3-1-4-9-16)17-10-7-13-23(15-17)29(27,28)18-11-5-2-6-12-18/h1-6,8-9,11-12,17,19H,7,10,13-15H2,(H,22,24)(H,25,26)/t17?,19-/m0/s1