O1-(10-phenyldecanoylamino) O6-(phenylmethyl) 2-azanylhexanedioate hydrochloride

Systemtic Name: O1-(10-phenyldecanoylamino) O6-(phenylmethyl) 2-azanylhexanedioate hydrochloride Openeye Name: O6-benzyl O1-(10-phenyldecanoylamino) 2-aminohexanedioate hydrochloride CAS Name: 2-aminohexanedioic acid O1-[(1-oxo-10-phenyldecyl)amino] ester O6-(phenylmethyl) ester hydrochloride IUPAC Name: 6-O-benzyl 1-O-(10-phenyldecanoylamino) 2-aminohexanedioate hydrochloride Traditional Name: 2-aminoadipic acid O6-benzyl ester O1-(10-phenyldecanoylamino) ester hydrochloride Formula: C29H41ClN2O5 MolecularWeight: 533.09924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCCC(=O)NOC(=O)C(CCCC(=O)OCC2=CC=CC=C2)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCCC(=O)NOC(=O)C(CCCC(=O)OCC2=CC=CC=C2)N.Cl

InChI

InChI=1S/C29H40N2O5.ClH/c30-26(20-14-22-28(33)35-23-25-18-11-7-12-19-25)29(34)36-31-27(32)21-13-5-3-1-2-4-8-15-24-16-9-6-10-17-24;/h6-7,9-12,16-19,26H,1-5,8,13-15,20-23,30H2,(H,31,32);1H