(phenylmethyl) 3-[[4-methyl-3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]phenyl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[[4-methyl-3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]phenyl]carbonylamino]propanoate Openeye Name: benzyl 3-[[3-[5-(tert-butoxycarbonylamino)pentanoylamino]-4-methyl-benzoyl]amino]propanoate CAS Name: 3-[[[4-methyl-3-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]phenyl]-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[4-methyl-3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]benzoyl]amino]propanoate Traditional Name: 3-[[3-[5-(tert-butoxycarbonylamino)pentanoylamino]-4-methyl-benzoyl]amino]propionic acid benzyl ester Formula: C28H37N3O6 MolecularWeight: 511.60988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCC(=O)OCC2=CC=CC=C2)NC(=O)CCCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCC(=O)OCC2=CC=CC=C2)NC(=O)CCCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C28H37N3O6/c1-20-13-14-22(26(34)29-17-15-25(33)36-19-21-10-6-5-7-11-21)18-23(20)31-24(32)12-8-9-16-30-27(35)37-28(2,3)4/h5-7,10-11,13-14,18H,8-9,12,15-17,19H2,1-4H3,(H,29,34)(H,30,35)(H,31,32)