2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; (E)-octadec-9-enoate

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; (E)-octadec-9-enoate Openeye Name: 2-amino-5-guanidino-pentanoic acid; (E)-octadec-9-enoate CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; (E)-9-octadecenoate IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; (E)-octadec-9-enoate Traditional Name: 2-amino-5-guanidino-valeric acid; (E)-octadec-9-enoate Formula: C24H47N4O4- MolecularWeight: 455.65438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34O2.C6H14N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-4(5(11)12)2-1-3-10-6(8)9/h9-10H,2-8,11-17H2,1H3,(H,19,20);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1/b10-9+;