[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCC1CCCCC1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCC1CCCCC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H32N2O5/c1-16(2)20(24-22(27)29-14-18-11-7-4-8-12-18)21(26)28-15-19(25)23-13-17-9-5-3-6-10-17/h4,7-8,11-12,16-17,20H,3,5-6,9-10,13-15H2,1-2H3,(H,23,25)(H,24,27)/t20-/m0/s1