O6-(hexadecanoylamino) O1-(phenylmethyl) 2-azanylhexanedioate hydrochloride

Systemtic Name: O6-(hexadecanoylamino) O1-(phenylmethyl) 2-azanylhexanedioate hydrochloride Openeye Name: O1-benzyl O6-(hexadecanoylamino) 2-aminohexanedioate hydrochloride CAS Name: 2-aminohexanedioic acid O6-(1-oxohexadecylamino) ester O1-(phenylmethyl) ester hydrochloride IUPAC Name: 1-O-benzyl 6-O-(hexadecanoylamino) 2-aminohexanedioate hydrochloride Traditional Name: 2-aminoadipic acid O1-benzyl ester O6-palmitamido ester hydrochloride Formula: C29H49ClN2O5 MolecularWeight: 541.16276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NOC(=O)CCCC(C(=O)OCC1=CC=CC=C1)N.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NOC(=O)CCCC(C(=O)OCC1=CC=CC=C1)N.Cl

InChI

InChI=1S/C29H48N2O5.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-27(32)31-36-28(33)23-18-21-26(30)29(34)35-24-25-19-15-14-16-20-25;/h14-16,19-20,26H,2-13,17-18,21-24,30H2,1H3,(H,31,32);1H