5-azanyl-2-[(2-azanyl-3-methyl-butanoyl)-octadecyl-amino]-5-oxidanylidene-pentanoic acid hydrochloride

Systemtic Name: 5-azanyl-2-[(2-azanyl-3-methyl-butanoyl)-octadecyl-amino]-5-oxidanylidene-pentanoic acid hydrochloride Openeye Name: 5-amino-2-[(2-amino-3-methyl-butanoyl)-octadecyl-amino]-5-oxo-pentanoic acid hydrochloride CAS Name: 5-amino-2-[(2-amino-3-methyl-1-oxobutyl)-octadecylamino]-5-oxopentanoic acid hydrochloride IUPAC Name: 5-amino-2-[(2-amino-3-methylbutanoyl)-octadecylamino]-5-oxopentanoic acid hydrochloride Traditional Name: 5-amino-2-[(2-amino-3-methyl-butanoyl)-stearyl-amino]-5-keto-valeric acid hydrochloride Formula: C28H56ClN3O4 MolecularWeight: 534.21494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C(CCC(=O)N)C(=O)O)C(=O)C(C(C)C)N.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C(CCC(=O)N)C(=O)O)C(=O)C(C(C)C)N.Cl

InChI

InChI=1S/C28H55N3O4.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31(27(33)26(30)23(2)3)24(28(34)35)20-21-25(29)32;/h23-24,26H,4-22,30H2,1-3H3,(H2,29,32)(H,34,35);1H