(phenylmethyl) 3-[[3-[8-(phenylmethoxycarbonylamino)octanoylamino]phenyl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[[3-[8-(phenylmethoxycarbonylamino)octanoylamino]phenyl]carbonylamino]propanoate Openeye Name: benzyl 3-[[3-[8-(benzyloxycarbonylamino)octanoylamino]benzoyl]amino]propanoate CAS Name: 3-[[oxo-[3-[[1-oxo-8-(phenylmethoxycarbonylamino)octyl]amino]phenyl]methyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[3-[8-(phenylmethoxycarbonylamino)octanoylamino]benzoyl]amino]propanoate Traditional Name: 3-[[3-[8-(benzyloxycarbonylamino)octanoylamino]benzoyl]amino]propionic acid benzyl ester Formula: C33H39N3O6 MolecularWeight: 573.67926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCNC(=O)C2=CC(=CC=C2)NC(=O)CCCCCCCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCNC(=O)C2=CC(=CC=C2)NC(=O)CCCCCCCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C33H39N3O6/c37-30(19-10-2-1-3-11-21-35-33(40)42-25-27-15-8-5-9-16-27)36-29-18-12-17-28(23-29)32(39)34-22-20-31(38)41-24-26-13-6-4-7-14-26/h4-9,12-18,23H,1-3,10-11,19-22,24-25H2,(H,34,39)(H,35,40)(H,36,37)