O1-(5-naphthalen-2-ylpentanoylamino) O6-(phenylmethyl) 2-azanylhexanedioate hydrochloride

Systemtic Name: O1-(5-naphthalen-2-ylpentanoylamino) O6-(phenylmethyl) 2-azanylhexanedioate hydrochloride Openeye Name: O6-benzyl O1-[5-(2-naphthyl)pentanoylamino] 2-aminohexanedioate hydrochloride CAS Name: 2-aminohexanedioic acid O1-[[5-(2-naphthalenyl)-1-oxopentyl]amino] ester O6-(phenylmethyl) ester hydrochloride IUPAC Name: 6-O-benzyl 1-O-(5-naphthalen-2-ylpentanoylamino) 2-aminohexanedioate hydrochloride Traditional Name: 2-aminoadipic acid O6-benzyl ester O1-[5-(2-naphthyl)pentanoylamino] ester hydrochloride Formula: C28H33ClN2O5 MolecularWeight: 513.02502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)ONC(=O)CCCCC2=CC3=CC=CC=C3C=C2)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)ONC(=O)CCCCC2=CC3=CC=CC=C3C=C2)N.Cl

InChI

InChI=1S/C28H32N2O5.ClH/c29-25(14-8-16-27(32)34-20-22-10-2-1-3-11-22)28(33)35-30-26(31)15-7-4-9-21-17-18-23-12-5-6-13-24(23)19-21;/h1-3,5-6,10-13,17-19,25H,4,7-9,14-16,20,29H2,(H,30,31);1H