(phenylmethyl) 6-(16-azanylhexadecanoylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexanoate

Systemtic Name: (phenylmethyl) 6-(16-azanylhexadecanoylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexanoate Openeye Name: benzyl 6-(16-aminohexadecanoylamino)-5-(tert-butoxycarbonylamino)-6-oxo-hexanoate CAS Name: 6-[(16-amino-1-oxohexadecyl)amino]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(16-aminohexadecanoylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoate Traditional Name: 6-(16-aminohexadecanoylamino)-5-(tert-butoxycarbonylamino)-6-keto-hexanoic acid benzyl ester Formula: C34H57N3O6 MolecularWeight: 603.83288

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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)CCCCCCCCCCCCCCCN

Isomeric SMILES

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

InChI

InChI=1S/C34H57N3O6/c1-34(2,3)43-33(41)36-29(23-20-25-31(39)42-27-28-21-16-15-17-22-28)32(40)37-30(38)24-18-13-11-9-7-5-4-6-8-10-12-14-19-26-35/h15-17,21-22,29H,4-14,18-20,23-27,35H2,1-3H3,(H,36,41)(H,37,38,40)