octadecyl (2S)-5-azanyl-2-[[(2R)-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoate hydrochloride

Systemtic Name: octadecyl (2S)-5-azanyl-2-[[(2R)-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoate hydrochloride Openeye Name: octadecyl (2S)-5-amino-2-[[(2R)-2-aminopropanoyl]amino]-5-oxo-pentanoate hydrochloride CAS Name: (2S)-5-amino-2-[[(2R)-2-amino-1-oxopropyl]amino]-5-oxopentanoic acid octadecyl ester hydrochloride IUPAC Name: octadecyl (2S)-5-amino-2-[[(2R)-2-aminopropanoyl]amino]-5-oxopentanoate hydrochloride Traditional Name: (2S)-5-amino-2-[[(2R)-2-aminopropanoyl]amino]-5-keto-valeric acid stearyl ester hydrochloride Formula: C26H52ClN3O4 MolecularWeight: 506.16178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CCC(=O)N)NC(=O)C(C)N.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](C)N.Cl

InChI

InChI=1S/C26H51N3O4.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-33-26(32)23(19-20-24(28)30)29-25(31)22(2)27;/h22-23H,3-21,27H2,1-2H3,(H2,28,30)(H,29,31);1H/t22-,23+;/m1./s1