tert-butyl (2S)-1-[(2R)-2-[2-oxidanylidene-2-(phenylmethoxyamino)ethyl]heptanoyl]piperidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[(2R)-2-[2-oxidanylidene-2-(phenylmethoxyamino)ethyl]heptanoyl]piperidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[(2R)-2-[2-(benzyloxyamino)-2-oxo-ethyl]heptanoyl]piperidine-2-carboxylate CAS Name: (2S)-1-[(2R)-1-oxo-2-[2-oxo-2-(phenylmethoxyamino)ethyl]heptyl]-2-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[(2R)-2-[2-oxo-2-(phenylmethoxyamino)ethyl]heptanoyl]piperidine-2-carboxylate Traditional Name: (2S)-1-[(2R)-2-[2-(benzoxyamino)-2-keto-ethyl]heptanoyl]pipecolinic acid tert-butyl ester Formula: C26H40N2O5 MolecularWeight: 460.6062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NOCC1=CC=CC=C1)C(=O)N2CCCCC2C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC[C@H](CC(=O)NOCC1=CC=CC=C1)C(=O)N2CCCC[C@H]2C(=O)OC(C)(C)C

InChI

InChI=1S/C26H40N2O5/c1-5-6-8-15-21(18-23(29)27-32-19-20-13-9-7-10-14-20)24(30)28-17-12-11-16-22(28)25(31)33-26(2,3)4/h7,9-10,13-14,21-22H,5-6,8,11-12,15-19H2,1-4H3,(H,27,29)/t21-,22+/m1/s1