3-methyl-2-(octadec-9-enoylamino)butanoic acid; sodium

Systemtic Name: 3-methyl-2-(octadec-9-enoylamino)butanoic acid; sodium Openeye Name: 3-methyl-2-(octadec-9-enoylamino)butanoic acid; sodium CAS Name: 3-methyl-2-(1-oxooctadec-9-enylamino)butanoic acid; sodium IUPAC Name: 3-methyl-2-(octadec-9-enoylamino)butanoic acid; sodium Traditional Name: 3-methyl-2-(octadec-9-enoylamino)butyric acid; sodium Formula: C23H43NNaO3 MolecularWeight: 404.58219

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(C(C)C)C(=O)O.[Na]

Isomeric SMILES

CCCCCCCCC=CCCCCCCCC(=O)NC(C(C)C)C(=O)O.[Na]

InChI

InChI=1S/C23H43NO3.Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(25)24-22(20(2)3)23(26)27;/h11-12,20,22H,4-10,13-19H2,1-3H3,(H,24,25)(H,26,27);