(phenylmethyl) 4-methyl-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]pentanoate

Systemtic Name: (phenylmethyl) 4-methyl-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]pentanoate Openeye Name: benzyl 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-4-methyl-pentanoate CAS Name: 4-methyl-2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]pentanoate Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-4-methyl-valeric acid benzyl ester Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O6/c1-18(2)13-21(24(31)33-16-19-9-5-3-6-10-19)28-23(30)15-26-22(29)14-27-25(32)34-17-20-11-7-4-8-12-20/h3-12,18,21H,13-17H2,1-2H3,(H,26,29)(H,27,32)(H,28,30)