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

Systemtic Name: 5-azanyl-2-[(2-azanyl-3-oxidanyl-butanoyl)-octadecyl-amino]-5-oxidanylidene-pentanoic acid hydrochloride Openeye Name: 5-amino-2-[(2-amino-3-hydroxy-butanoyl)-octadecyl-amino]-5-oxo-pentanoic acid hydrochloride CAS Name: 5-amino-2-[(2-amino-3-hydroxy-1-oxobutyl)-octadecylamino]-5-oxopentanoic acid hydrochloride IUPAC Name: 5-amino-2-[(2-amino-3-hydroxybutanoyl)-octadecylamino]-5-oxopentanoic acid hydrochloride Traditional Name: 5-amino-2-[(2-amino-3-hydroxy-butanoyl)-stearyl-amino]-5-keto-valeric acid hydrochloride Formula: C27H54ClN3O5 MolecularWeight: 536.18776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H53N3O5.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30(26(33)25(29)22(2)31)23(27(34)35)19-20-24(28)32;/h22-23,25,31H,3-21,29H2,1-2H3,(H2,28,32)(H,34,35);1H