1-[(2R)-2-acetamido-6-(phenylmethoxycarbonylamino)hexanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2R)-2-acetamido-6-(phenylmethoxycarbonylamino)hexanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2R)-2-acetamido-6-(benzyloxycarbonylamino)hexanoyl]piperidine-3-carboxylic acid CAS Name: 1-[(2R)-2-acetamido-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2R)-2-acetamido-6-(phenylmethoxycarbonylamino)hexanoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2R)-2-acetamido-6-(benzyloxycarbonylamino)hexanoyl]nipecotic acid Formula: C22H31N3O6 MolecularWeight: 433.49804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC(=O)N[C@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C22H31N3O6/c1-16(26)24-19(20(27)25-13-7-10-18(14-25)21(28)29)11-5-6-12-23-22(30)31-15-17-8-3-2-4-9-17/h2-4,8-9,18-19H,5-7,10-15H2,1H3,(H,23,30)(H,24,26)(H,28,29)/t18?,19-/m1/s1