2-azanyl-4-octadecanoyl-pentanedioic acid

Systemtic Name: 2-azanyl-4-octadecanoyl-pentanedioic acid Openeye Name: 2-amino-4-octadecanoyl-pentanedioic acid CAS Name: 2-amino-4-(1-oxooctadecyl)pentanedioic acid IUPAC Name: 2-amino-4-octadecanoylpentanedioic acid Traditional Name: 2-amino-4-stearoyl-glutaric acid Formula: C23H43NO5 MolecularWeight: 413.59122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CC(C(=O)O)N)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CC(C(=O)O)N)C(=O)O

InChI

InChI=1S/C23H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)19(22(26)27)18-20(24)23(28)29/h19-20H,2-18,24H2,1H3,(H,26,27)(H,28,29)