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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H27N3O6 MolecularWeight: 393.43418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O6/c1-12(2)16(22-19(26)28-10-14-8-6-5-7-9-14)17(24)27-11-15(23)21-18(25)20-13(3)4/h5-9,12-13,16H,10-11H2,1-4H3,(H,22,26)(H2,20,21,23,25)/t16-/m0/s1