(phenylmethyl) 6-[(1-azanyl-1-oxidanylidene-hexadecan-3-yl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexanoate

Systemtic Name: (phenylmethyl) 6-[(1-azanyl-1-oxidanylidene-hexadecan-3-yl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexanoate Openeye Name: benzyl 6-[1-(2-amino-2-oxo-ethyl)tetradecylamino]-5-(tert-butoxycarbonylamino)-6-oxo-hexanoate CAS Name: 6-[(1-amino-1-oxohexadecan-3-yl)amino]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[(1-amino-1-oxohexadecan-3-yl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoate Traditional Name: 6-[1-(2-amino-2-keto-ethyl)tetradecylamino]-5-(tert-butoxycarbonylamino)-6-keto-hexanoic acid benzyl ester Formula: C34H57N3O6 MolecularWeight: 603.83288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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