(phenylmethyl) 2-[(4-methylphenyl)carbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (phenylmethyl) 2-[(4-methylphenyl)carbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: benzyl 6-(benzyloxycarbonylamino)-2-[(4-methylbenzoyl)amino]hexanoate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-methylbenzoyl)amino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-(benzyloxycarbonylamino)-2-(p-toluoylamino)hexanoic acid benzyl ester Formula: C29H32N2O5 MolecularWeight: 488.57478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H32N2O5/c1-22-15-17-25(18-16-22)27(32)31-26(28(33)35-20-23-10-4-2-5-11-23)14-8-9-19-30-29(34)36-21-24-12-6-3-7-13-24/h2-7,10-13,15-18,26H,8-9,14,19-21H2,1H3,(H,30,34)(H,31,32)