sodium 2-methyl-4-[3-(octadecylamino)-3-oxidanylidene-propyl]pentanedioic acid

Systemtic Name: sodium 2-methyl-4-[3-(octadecylamino)-3-oxidanylidene-propyl]pentanedioic acid Openeye Name: sodium 2-methyl-4-[3-(octadecylamino)-3-oxo-propyl]pentanedioic acid CAS Name: sodium 2-methyl-4-[3-(octadecylamino)-3-oxopropyl]pentanedioic acid IUPAC Name: sodium 2-methyl-4-[3-(octadecylamino)-3-oxopropyl]pentanedioic acid Traditional Name: sodium 2-[3-keto-3-(stearylamino)propyl]-4-methyl-glutaric acid Formula: C27H51NNaO5+ MolecularWeight: 492.68731

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CCC(CC(C)C(=O)O)C(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)CCC(CC(C)C(=O)O)C(=O)O.[Na+]

InChI

InChI=1S/C27H51NO5.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-25(29)20-19-24(27(32)33)22-23(2)26(30)31;/h23-24H,3-22H2,1-2H3,(H,28,29)(H,30,31)(H,32,33);/q;+1