tert-butyl (2S)-5-(butylamino)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: tert-butyl (2S)-5-(butylamino)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: tert-butyl (2S)-2-(benzyloxycarbonylamino)-5-(butylamino)-5-oxo-pentanoate CAS Name: (2S)-5-(butylamino)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-5-(butylamino)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-(butylamino)-5-keto-valeric acid tert-butyl ester Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCNC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H32N2O5/c1-5-6-14-22-18(24)13-12-17(19(25)28-21(2,3)4)23-20(26)27-15-16-10-8-7-9-11-16/h7-11,17H,5-6,12-15H2,1-4H3,(H,22,24)(H,23,26)/t17-/m0/s1