methyl (Z)-5-acetamido-2-benzamido-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate

Systemtic Name: methyl (Z)-5-acetamido-2-benzamido-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate Openeye Name: methyl (Z)-5-acetamido-2-benzamido-4-(tert-butoxycarbonylamino)pent-2-enoate CAS Name: (Z)-5-acetamido-2-benzamido-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-pentenoic acid methyl ester IUPAC Name: methyl (Z)-5-acetamido-2-benzamido-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate Traditional Name: (Z)-5-acetamido-2-benzamido-4-(tert-butoxycarbonylamino)pent-2-enoic acid methyl ester Formula: C20H27N3O6 MolecularWeight: 405.44488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)NCC(/C=C(/C(=O)OC)\NC(=O)C1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H27N3O6/c1-13(24)21-12-15(22-19(27)29-20(2,3)4)11-16(18(26)28-5)23-17(25)14-9-7-6-8-10-14/h6-11,15H,12H2,1-5H3,(H,21,24)(H,22,27)(H,23,25)/b16-11-