O1-(6-nonoxyhexanoylamino) O6-(phenylmethyl) 2-azanylhexanedioate hydrochloride

Systemtic Name: O1-(6-nonoxyhexanoylamino) O6-(phenylmethyl) 2-azanylhexanedioate hydrochloride Openeye Name: O6-benzyl O1-(6-nonoxyhexanoylamino) 2-aminohexanedioate hydrochloride CAS Name: 2-aminohexanedioic acid O1-[(6-nonoxy-1-oxohexyl)amino] ester O6-(phenylmethyl) ester hydrochloride IUPAC Name: 6-O-benzyl 1-O-(6-nonoxyhexanoylamino) 2-aminohexanedioate hydrochloride Traditional Name: 2-aminoadipic acid O6-benzyl ester O1-(6-nonoxyhexanoylamino) ester hydrochloride Formula: C28H47ClN2O6 MolecularWeight: 543.13558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46N2O6.ClH/c1-2-3-4-5-6-7-13-21-34-22-14-9-12-19-26(31)30-36-28(33)25(29)18-15-20-27(32)35-23-24-16-10-8-11-17-24;/h8,10-11,16-17,25H,2-7,9,12-15,18-23,29H2,1H3,(H,30,31);1H