(phenylmethyl) 2-[2-(4-bromophenyl)ethoxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (phenylmethyl) 2-[2-(4-bromophenyl)ethoxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoate Openeye Name: benzyl 5-(benzyloxycarbonylamino)-2-[2-(4-bromophenyl)ethoxycarbonylamino]pentanoate CAS Name: 2-[[2-(4-bromophenyl)ethoxy-oxomethyl]amino]-5-(phenylmethoxycarbonylamino)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(4-bromophenyl)ethoxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 5-(benzyloxycarbonylamino)-2-[2-(4-bromophenyl)ethoxycarbonylamino]valeric acid benzyl ester Formula: C29H31BrN2O6 MolecularWeight: 583.47024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCNC(=O)OCC2=CC=CC=C2)NC(=O)OCCC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCCNC(=O)OCC2=CC=CC=C2)NC(=O)OCCC3=CC=C(C=C3)Br

InChI

InChI=1S/C29H31BrN2O6/c30-25-15-13-22(14-16-25)17-19-36-29(35)32-26(27(33)37-20-23-8-3-1-4-9-23)12-7-18-31-28(34)38-21-24-10-5-2-6-11-24/h1-6,8-11,13-16,26H,7,12,17-21H2,(H,31,34)(H,32,35)