(phenylmethyl) 4-[(1-ethoxy-3-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) 4-[(1-ethoxy-3-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: benzyl 3-(tert-butoxycarbonylamino)-4-[[2-ethoxy-1-(hydroxymethyl)-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: 4-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: 3-(tert-butoxycarbonylamino)-4-[(2-ethoxy-2-keto-1-methylol-ethyl)amino]-4-keto-butyric acid benzyl ester Formula: C21H30N2O8 MolecularWeight: 438.4715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O8/c1-5-29-19(27)16(12-24)22-18(26)15(23-20(28)31-21(2,3)4)11-17(25)30-13-14-9-7-6-8-10-14/h6-10,15-16,24H,5,11-13H2,1-4H3,(H,22,26)(H,23,28)