[(E)-4-oxidanylidene-4-phenyl-but-2-enoyl] 6-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Systemtic Name: [(E)-4-oxidanylidene-4-phenyl-but-2-enoyl] 6-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Openeye Name: [(E)-4-oxo-4-phenyl-but-2-enoyl] 6-amino-2-(tert-butoxycarbonylamino)hexanoate CAS Name: 6-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid [(E)-1,4-dioxo-4-phenylbut-2-enyl] ester IUPAC Name: [(E)-4-oxo-4-phenylbut-2-enoyl] 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Traditional Name: 6-amino-2-(tert-butoxycarbonylamino)hexanoic acid [(E)-4-keto-4-phenyl-but-2-enoyl] ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCN)C(=O)OC(=O)C=CC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCCN)C(=O)OC(=O)/C=C/C(=O)C1=CC=CC=C1

InChI

InChI=1S/C21H28N2O6/c1-21(2,3)29-20(27)23-16(11-7-8-14-22)19(26)28-18(25)13-12-17(24)15-9-5-4-6-10-15/h4-6,9-10,12-13,16H,7-8,11,14,22H2,1-3H3,(H,23,27)/b13-12+