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

Systemtic Name: (phenylmethyl) 2-[(4-acetamidophenyl)carbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: benzyl 2-[(4-acetamidobenzoyl)amino]-6-(benzyloxycarbonylamino)hexanoate CAS Name: 2-[[(4-acetamidophenyl)-oxomethyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-acetamidobenzoyl)amino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 2-[(4-acetamidobenzoyl)amino]-6-(benzyloxycarbonylamino)hexanoic acid benzyl ester Formula: C30H33N3O6 MolecularWeight: 531.59952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H33N3O6/c1-22(34)32-26-17-15-25(16-18-26)28(35)33-27(29(36)38-20-23-10-4-2-5-11-23)14-8-9-19-31-30(37)39-21-24-12-6-3-7-13-24/h2-7,10-13,15-18,27H,8-9,14,19-21H2,1H3,(H,31,37)(H,32,34)(H,33,35)