[3,4-bis(oxidanylidene)-4-propoxy-butan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [3,4-bis(oxidanylidene)-4-propoxy-butan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (1-methyl-2,3-dioxo-3-propoxy-propyl) (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (3,4-dioxo-4-propoxybutan-2-yl) ester IUPAC Name: (3,4-dioxo-4-propoxybutan-2-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid (2,3-diketo-1-methyl-3-propoxy-propyl) ester Formula: C20H27NO7 MolecularWeight: 393.43088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO7/c1-5-11-26-19(24)17(22)14(4)28-18(23)16(13(2)3)21-20(25)27-12-15-9-7-6-8-10-15/h6-10,13-14,16H,5,11-12H2,1-4H3,(H,21,25)/t14?,16-/m0/s1