(phenylmethyl) 6-[methyl(2-oxidanylidenepentadecanoyl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexanoate

Systemtic Name: (phenylmethyl) 6-[methyl(2-oxidanylidenepentadecanoyl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexanoate Openeye Name: benzyl 5-(tert-butoxycarbonylamino)-6-[methyl(2-oxopentadecanoyl)amino]-6-oxo-hexanoate CAS Name: 6-[1,2-dioxopentadecyl(methyl)amino]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[methyl(2-oxopentadecanoyl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoate Traditional Name: 5-(tert-butoxycarbonylamino)-6-keto-6-[2-ketopentadecanoyl(methyl)amino]hexanoic acid benzyl ester Formula: C34H54N2O7 MolecularWeight: 602.80176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C(=O)N(C)C(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C(=O)N(C)C(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C34H54N2O7/c1-6-7-8-9-10-11-12-13-14-15-19-24-29(37)32(40)36(5)31(39)28(35-33(41)43-34(2,3)4)23-20-25-30(38)42-26-27-21-17-16-18-22-27/h16-18,21-22,28H,6-15,19-20,23-26H2,1-5H3,(H,35,41)