O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-(piperidin-1-ylcarbonylamino)hexanedioate

Systemtic Name: O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-(piperidin-1-ylcarbonylamino)hexanedioate Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-benzyl 2-(piperidine-1-carbonylamino)hexanedioate CAS Name: 2-[[oxo(1-piperidinyl)methyl]amino]hexanedioic acid O6-(1-amino-1-oxohexadecan-3-yl) ester O1-(phenylmethyl) ester IUPAC Name: 6-O-(1-amino-1-oxohexadecan-3-yl) 1-O-benzyl 2-(piperidine-1-carbonylamino)hexanedioate Traditional Name: 2-(piperidine-1-carbonylamino)adipic acid O6-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O1-benzyl ester Formula: C35H57N3O6 MolecularWeight: 615.84358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NC(=O)N2CCCCC2

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NC(=O)N2CCCCC2

InChI

InChI=1S/C35H57N3O6/c1-2-3-4-5-6-7-8-9-10-11-16-22-30(27-32(36)39)44-33(40)24-19-23-31(37-35(42)38-25-17-13-18-26-38)34(41)43-28-29-20-14-12-15-21-29/h12,14-15,20-21,30-31H,2-11,13,16-19,22-28H2,1H3,(H2,36,39)(H,37,42)