2-[(3S,5R)-4-acetamido-3,5-bis(oxidanyl)piperidin-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3S,5R)-4-acetamido-3,5-bis(oxidanyl)piperidin-1-yl]-3-phenyl-propanoic acid Openeye Name: 2-[(3S,5R)-4-acetamido-3,5-dihydroxy-1-piperidyl]-3-phenyl-propanoic acid CAS Name: 2-[(3S,5R)-4-acetamido-3,5-dihydroxy-1-piperidinyl]-3-phenylpropanoic acid IUPAC Name: 2-[(3S,5R)-4-acetamido-3,5-dihydroxypiperidin-1-yl]-3-phenylpropanoic acid Traditional Name: 2-[(3S,5R)-4-acetamido-3,5-dihydroxy-piperidino]-3-phenyl-propionic acid Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CN(CC1O)C(CC2=CC=CC=C2)C(=O)O)O

Isomeric SMILES

CC(=O)NC1[C@@H](CN(C[C@@H]1O)C(CC2=CC=CC=C2)C(=O)O)O

InChI

InChI=1S/C16H22N2O5/c1-10(19)17-15-13(20)8-18(9-14(15)21)12(16(22)23)7-11-5-3-2-4-6-11/h2-6,12-15,20-21H,7-9H2,1H3,(H,17,19)(H,22,23)/t12?,13-,14+,15?