(phenylmethyl) 3-[[3-[5-(phenylmethoxycarbonylamino)pentanoylamino]phenyl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[[3-[5-(phenylmethoxycarbonylamino)pentanoylamino]phenyl]carbonylamino]propanoate Openeye Name: benzyl 3-[[3-[5-(benzyloxycarbonylamino)pentanoylamino]benzoyl]amino]propanoate CAS Name: 3-[[oxo-[3-[[1-oxo-5-(phenylmethoxycarbonylamino)pentyl]amino]phenyl]methyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[3-[5-(phenylmethoxycarbonylamino)pentanoylamino]benzoyl]amino]propanoate Traditional Name: 3-[[3-[5-(benzyloxycarbonylamino)pentanoylamino]benzoyl]amino]propionic acid benzyl ester Formula: C30H33N3O6 MolecularWeight: 531.59952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33N3O6/c34-27(16-7-8-18-32-30(37)39-22-24-12-5-2-6-13-24)33-26-15-9-14-25(20-26)29(36)31-19-17-28(35)38-21-23-10-3-1-4-11-23/h1-6,9-15,20H,7-8,16-19,21-22H2,(H,31,36)(H,32,37)(H,33,34)