(2S)-3-phenyl-2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-phenyl-2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(1-besylisonipecotoyl)amino]-3-phenyl-propionic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c24-20(22-19(21(25)26)15-16-7-3-1-4-8-16)17-11-13-23(14-12-17)29(27,28)18-9-5-2-6-10-18/h1-10,17,19H,11-15H2,(H,22,24)(H,25,26)/t19-/m0/s1