(phenylmethyl) 2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]ethanoate Openeye Name: benzyl 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]acetic acid benzyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CNC(=O)CNC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CNC(=O)CNC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O6/c25-18(23-13-20(27)29-14-16-7-3-1-4-8-16)11-22-19(26)12-24-21(28)30-15-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,22,26)(H,23,25)(H,24,28)