2,5-bis(azanyl)pentanoic acid; (E)-octadec-9-enoate

Systemtic Name: 2,5-bis(azanyl)pentanoic acid; (E)-octadec-9-enoate Openeye Name: 2,5-diaminopentanoic acid; (E)-octadec-9-enoate CAS Name: 2,5-diaminopentanoic acid; (E)-9-octadecenoate IUPAC Name: 2,5-diaminopentanoic acid; (E)-octadec-9-enoate Traditional Name: 2,5-diaminovaleric acid; (E)-octadec-9-enoate Formula: C23H45N2O4- MolecularWeight: 413.6144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34O2.C5H12N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-3-1-2-4(7)5(8)9/h9-10H,2-8,11-17H2,1H3,(H,19,20);4H,1-3,6-7H2,(H,8,9)/p-1/b10-9+;