2-methyl-3-(octanoylamino)butanedioic acid

Systemtic Name: 2-methyl-3-(octanoylamino)butanedioic acid Openeye Name: 2-methyl-3-(octanoylamino)butanedioic acid CAS Name: 2-methyl-3-(1-oxooctylamino)butanedioic acid IUPAC Name: 2-methyl-3-(octanoylamino)butanedioic acid Traditional Name: 2-(caprylylamino)-3-methyl-succinic acid Formula: C13H23NO5 MolecularWeight: 273.32542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(C(C)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)NC(C(C)C(=O)O)C(=O)O

InChI

InChI=1S/C13H23NO5/c1-3-4-5-6-7-8-10(15)14-11(13(18)19)9(2)12(16)17/h9,11H,3-8H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)