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

Systemtic Name: O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-azanylhexanedioate hydrochloride Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-benzyl 2-aminohexanedioate hydrochloride CAS Name: 2-aminohexanedioic acid O6-(1-amino-1-oxohexadecan-3-yl) ester O1-(phenylmethyl) ester hydrochloride IUPAC Name: 6-O-(1-amino-1-oxohexadecan-3-yl) 1-O-benzyl 2-aminohexanedioate hydrochloride Traditional Name: 2-aminoadipic acid O6-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O1-benzyl ester hydrochloride Formula: C29H49ClN2O5 MolecularWeight: 541.16276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48N2O5.ClH/c1-2-3-4-5-6-7-8-9-10-11-15-19-25(22-27(31)32)36-28(33)21-16-20-26(30)29(34)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);1H