O1-[4-(6-ethylnaphthalen-2-yl)butanoylamino] O6-(phenylmethyl) 2-azanylhexanedioate hydrochloride

Systemtic Name: O1-[4-(6-ethylnaphthalen-2-yl)butanoylamino] O6-(phenylmethyl) 2-azanylhexanedioate hydrochloride Openeye Name: O6-benzyl O1-[4-(6-ethyl-2-naphthyl)butanoylamino] 2-aminohexanedioate hydrochloride CAS Name: 2-aminohexanedioic acid O1-[[4-(6-ethyl-2-naphthalenyl)-1-oxobutyl]amino] ester O6-(phenylmethyl) ester hydrochloride IUPAC Name: 6-O-benzyl 1-O-[4-(6-ethylnaphthalen-2-yl)butanoylamino] 2-aminohexanedioate hydrochloride Traditional Name: 2-aminoadipic acid O6-benzyl ester O1-[4-(6-ethyl-2-naphthyl)butanoylamino] ester hydrochloride Formula: C29H35ClN2O5 MolecularWeight: 527.0516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C=C(C=C2)CCCC(=O)NOC(=O)C(CCCC(=O)OCC3=CC=CC=C3)N.Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)C=C(C=C2)CCCC(=O)NOC(=O)C(CCCC(=O)OCC3=CC=CC=C3)N.Cl

InChI

InChI=1S/C29H34N2O5.ClH/c1-2-21-14-16-25-19-22(15-17-24(25)18-21)10-6-12-27(32)31-36-29(34)26(30)11-7-13-28(33)35-20-23-8-4-3-5-9-23;/h3-5,8-9,14-19,26H,2,6-7,10-13,20,30H2,1H3,(H,31,32);1H