(phenylmethyl) 3-methyl-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]pentanoate

Systemtic Name: (phenylmethyl) 3-methyl-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]pentanoate Openeye Name: benzyl 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-methyl-pentanoate CAS Name: 3-methyl-2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]pentanoate Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-methyl-valeric acid benzyl ester Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O6/c1-3-18(2)23(24(31)33-16-19-10-6-4-7-11-19)28-22(30)15-26-21(29)14-27-25(32)34-17-20-12-8-5-9-13-20/h4-13,18,23H,3,14-17H2,1-2H3,(H,26,29)(H,27,32)(H,28,30)