5-azanyl-2-[octadecyl(2-phenylazanylethanoyl)amino]-5-oxidanylidene-pentanoic acid hydrochloride

Systemtic Name: 5-azanyl-2-[octadecyl(2-phenylazanylethanoyl)amino]-5-oxidanylidene-pentanoic acid hydrochloride Openeye Name: 5-amino-2-[(2-anilinoacetyl)-octadecyl-amino]-5-oxo-pentanoic acid hydrochloride CAS Name: 5-amino-2-[(2-anilino-1-oxoethyl)-octadecylamino]-5-oxopentanoic acid hydrochloride IUPAC Name: 5-amino-2-[(2-anilinoacetyl)-octadecylamino]-5-oxopentanoic acid hydrochloride Traditional Name: 5-amino-2-[(2-anilinoacetyl)-stearyl-amino]-5-keto-valeric acid hydrochloride Formula: C31H54ClN3O4 MolecularWeight: 568.23116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C(CCC(=O)N)C(=O)O)C(=O)CNC1=CC=CC=C1.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C(CCC(=O)N)C(=O)O)C(=O)CNC1=CC=CC=C1.Cl

InChI

InChI=1S/C31H53N3O4.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-34(28(31(37)38)23-24-29(32)35)30(36)26-33-27-21-18-17-19-22-27;/h17-19,21-22,28,33H,2-16,20,23-26H2,1H3,(H2,32,35)(H,37,38);1H