(phenylmethyl) 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-(15-oxidanylidenepentadecanoylamino)hexanoate

Systemtic Name: (phenylmethyl) 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-(15-oxidanylidenepentadecanoylamino)hexanoate Openeye Name: benzyl 5-(tert-butoxycarbonylamino)-6-oxo-6-(15-oxopentadecanoylamino)hexanoate CAS Name: 6-(1,15-dioxopentadecylamino)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(15-oxopentadecanoylamino)hexanoate Traditional Name: 5-(tert-butoxycarbonylamino)-6-keto-6-(15-ketopentadecanoylamino)hexanoic acid benzyl ester Formula: C33H52N2O7 MolecularWeight: 588.77518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H52N2O7/c1-33(2,3)42-32(40)34-28(22-19-24-30(38)41-26-27-20-15-14-16-21-27)31(39)35-29(37)23-17-12-10-8-6-4-5-7-9-11-13-18-25-36/h14-16,20-21,25,28H,4-13,17-19,22-24,26H2,1-3H3,(H,34,40)(H,35,37,39)