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

Systemtic Name: O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-(phenoxycarbonylamino)hexanedioate Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-benzyl 2-(phenoxycarbonylamino)hexanedioate CAS Name: 2-[[oxo(phenoxy)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-(phenoxycarbonylamino)hexanedioate Traditional Name: 2-(carbophenoxyamino)adipic acid O6-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O1-benzyl ester Formula: C36H52N2O7 MolecularWeight: 624.80728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NC(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C36H52N2O7/c1-2-3-4-5-6-7-8-9-10-11-16-24-31(27-33(37)39)44-34(40)26-19-25-32(35(41)43-28-29-20-14-12-15-21-29)38-36(42)45-30-22-17-13-18-23-30/h12-15,17-18,20-23,31-32H,2-11,16,19,24-28H2,1H3,(H2,37,39)(H,38,42)