2-[2-azanylpropanoyl(octadecyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: 2-[2-azanylpropanoyl(octadecyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: 2-[2-aminopropanoyl(octadecyl)amino]-5-hydroxy-5-oxo-pentanoate CAS Name: 2-[(2-amino-1-oxopropyl)-octadecylamino]-5-hydroxy-5-oxopentanoate IUPAC Name: 2-[2-aminopropanoyl(octadecyl)amino]-5-hydroxy-5-oxopentanoate Traditional Name: 2-[alanyl(stearyl)amino]-5-hydroxy-5-keto-valerate Formula: C26H49N2O5- MolecularWeight: 469.67766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C(CCC(=O)O)C(=O)[O-])C(=O)C(C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C(CCC(=O)O)C(=O)[O-])C(=O)C(C)N

InChI

InChI=1S/C26H50N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28(25(31)22(2)27)23(26(32)33)19-20-24(29)30/h22-23H,3-21,27H2,1-2H3,(H,29,30)(H,32,33)/p-1