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

Systemtic Name: O1-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O6-(phenylmethyl) 2-azanylhexanedioate Openeye Name: O1-[1-(2-amino-2-oxo-ethyl)tetradecyl] O6-benzyl 2-aminohexanedioate CAS Name: 2-aminohexanedioic acid O1-(1-amino-1-oxohexadecan-3-yl) ester O6-(phenylmethyl) ester IUPAC Name: 1-O-(1-amino-1-oxohexadecan-3-yl) 6-O-benzyl 2-aminohexanedioate Traditional Name: 2-aminoadipic acid O1-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O6-benzyl ester Formula: C29H48N2O5 MolecularWeight: 504.70182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48N2O5/c1-2-3-4-5-6-7-8-9-10-11-15-19-25(22-27(31)32)36-29(34)26(30)20-16-21-28(33)35-23-24-17-13-12-14-18-24/h12-14,17-18,25-26H,2-11,15-16,19-23,30H2,1H3,(H2,31,32)