[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N(C(C)C)C(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5/c1-14(2)19(22-21(26)28-12-17-10-8-7-9-11-17)20(25)27-13-18(24)23(15(3)4)16(5)6/h7-11,14-16,19H,12-13H2,1-6H3,(H,22,26)/t19-/m0/s1