[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5/c1-13(2)16(18(24)27-14(3)17(23)22-20(4,5)6)21-19(25)26-12-15-10-8-7-9-11-15/h7-11,13-14,16H,12H2,1-6H3,(H,21,25)(H,22,23)/t14?,16-/m0/s1