(phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(2-oxidanylpropylcarbamoylamino)hexanoate

Systemtic Name: (phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(2-oxidanylpropylcarbamoylamino)hexanoate Openeye Name: benzyl 5-(2-hydroxypropylcarbamoylamino)-6-oxo-6-(16-oxohexadecanoylamino)hexanoate CAS Name: 6-(1,16-dioxohexadecylamino)-5-[[(2-hydroxypropylamino)-oxomethyl]amino]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(2-hydroxypropylcarbamoylamino)-6-oxo-6-(16-oxohexadecanoylamino)hexanoate Traditional Name: 5-(2-hydroxypropylcarbamoylamino)-6-keto-6-(16-ketohexadecanoylamino)hexanoic acid benzyl ester Formula: C33H53N3O7 MolecularWeight: 603.78982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)NC(CCCC(=O)OCC1=CC=CC=C1)C(=O)NC(=O)CCCCCCCCCCCCCCC=O)O

Isomeric SMILES

CC(CNC(=O)NC(CCCC(=O)OCC1=CC=CC=C1)C(=O)NC(=O)CCCCCCCCCCCCCCC=O)O

InChI

InChI=1S/C33H53N3O7/c1-27(38)25-34-33(42)35-29(21-18-23-31(40)43-26-28-19-14-13-15-20-28)32(41)36-30(39)22-16-11-9-7-5-3-2-4-6-8-10-12-17-24-37/h13-15,19-20,24,27,29,38H,2-12,16-18,21-23,25-26H2,1H3,(H2,34,35,42)(H,36,39,41)