2-[ethanoyl-[2-(octadecanoylamino)ethyl]amino]butanoic acid

Systemtic Name: 2-[ethanoyl-[2-(octadecanoylamino)ethyl]amino]butanoic acid Openeye Name: 2-[acetyl-[2-(octadecanoylamino)ethyl]amino]butanoic acid CAS Name: 2-[acetyl-[2-(1-oxooctadecylamino)ethyl]amino]butanoic acid IUPAC Name: 2-[acetyl-[2-(octadecanoylamino)ethyl]amino]butanoic acid Traditional Name: 2-[acetyl(2-stearamidoethyl)amino]butyric acid Formula: C26H50N2O4 MolecularWeight: 454.6862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCN(C(CC)C(=O)O)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCN(C(CC)C(=O)O)C(=O)C

InChI

InChI=1S/C26H50N2O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(30)27-21-22-28(23(3)29)24(5-2)26(31)32/h24H,4-22H2,1-3H3,(H,27,30)(H,31,32)