(phenylmethyl) 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-(4-oxidanylidenebutanoylamino)hexanoate

Systemtic Name: (phenylmethyl) 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-(4-oxidanylidenebutanoylamino)hexanoate Openeye Name: benzyl 5-(tert-butoxycarbonylamino)-6-oxo-6-(4-oxobutanoylamino)hexanoate CAS Name: 6-(1,4-dioxobutylamino)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(4-oxobutanoylamino)hexanoate Traditional Name: 5-(tert-butoxycarbonylamino)-6-keto-6-(4-ketobutanoylamino)hexanoic acid benzyl ester Formula: C22H30N2O7 MolecularWeight: 434.4828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O7/c1-22(2,3)31-21(29)23-17(20(28)24-18(26)12-8-14-25)11-7-13-19(27)30-15-16-9-5-4-6-10-16/h4-6,9-10,14,17H,7-8,11-13,15H2,1-3H3,(H,23,29)(H,24,26,28)