6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(phenoxycarbonylamino)hexanoic acid

Systemtic Name: 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(phenoxycarbonylamino)hexanoic acid Openeye Name: 6-oxo-6-(16-oxohexadecanoylamino)-5-(phenoxycarbonylamino)hexanoic acid CAS Name: 6-(1,16-dioxohexadecylamino)-6-oxo-5-[[oxo(phenoxy)methyl]amino]hexanoic acid IUPAC Name: 6-oxo-6-(16-oxohexadecanoylamino)-5-(phenoxycarbonylamino)hexanoic acid Traditional Name: 5-(carbophenoxyamino)-6-keto-6-(16-ketohexadecanoylamino)hexanoic acid Formula: C29H44N2O7 MolecularWeight: 532.66886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C29H44N2O7/c32-23-16-11-9-7-5-3-1-2-4-6-8-10-15-21-26(33)31-28(36)25(20-17-22-27(34)35)30-29(37)38-24-18-13-12-14-19-24/h12-14,18-19,23,25H,1-11,15-17,20-22H2,(H,30,37)(H,34,35)(H,31,33,36)