(phenylmethyl) 5-[(4-iodophenyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 5-[(4-iodophenyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoate Openeye Name: benzyl 4-(tert-butoxycarbonylamino)-5-(4-iodoanilino)-5-oxo-pentanoate CAS Name: 5-(4-iodoanilino)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(4-iodoanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate Traditional Name: 4-(tert-butoxycarbonylamino)-5-(4-iodoanilino)-5-keto-valeric acid benzyl ester Formula: C23H27IN2O5 MolecularWeight: 538.37535

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)I

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C23H27IN2O5/c1-23(2,3)31-22(29)26-19(21(28)25-18-11-9-17(24)10-12-18)13-14-20(27)30-15-16-7-5-4-6-8-16/h4-12,19H,13-15H2,1-3H3,(H,25,28)(H,26,29)