2-azanyl-3-methyl-butanoic acid; (E)-2-decyloctadec-9-enoate

Systemtic Name: 2-azanyl-3-methyl-butanoic acid; (E)-2-decyloctadec-9-enoate Openeye Name: 2-amino-3-methyl-butanoic acid; (E)-2-decyloctadec-9-enoate CAS Name: 2-amino-3-methylbutanoic acid; (E)-2-decyl-9-octadecenoate IUPAC Name: 2-amino-3-methylbutanoic acid; (E)-2-decyloctadec-9-enoate Traditional Name: 2-amino-3-methyl-butyric acid; (E)-2-decyloctadec-9-enoate Formula: C33H64NO4- MolecularWeight: 538.86556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCC=CCCCCCCCC)C(=O)[O-].CC(C)C(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCC(CCCCCC/C=C/CCCCCCCC)C(=O)[O-].CC(C)C(C(=O)O)N

InChI

InChI=1S/C28H54O2.C5H11NO2/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-27(28(29)30)25-23-21-19-12-10-8-6-4-2;1-3(2)4(6)5(7)8/h15-16,27H,3-14,17-26H2,1-2H3,(H,29,30);3-4H,6H2,1-2H3,(H,7,8)/p-1/b16-15+;