5-[bis(azanyl)methylideneamino]-2-[[(E)-octadec-9-enoyl]amino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[[(E)-octadec-9-enoyl]amino]pentanoic acid Openeye Name: 5-guanidino-2-[[(E)-octadec-9-enoyl]amino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[(E)-1-oxooctadec-9-enyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[[(E)-octadec-9-enoyl]amino]pentanoic acid Traditional Name: 5-guanidino-2-[[(E)-octadec-9-enoyl]amino]valeric acid Formula: C24H46N4O3 MolecularWeight: 438.64704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C24H46N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(29)28-21(23(30)31)18-17-20-27-24(25)26/h9-10,21H,2-8,11-20H2,1H3,(H,28,29)(H,30,31)(H4,25,26,27)/b10-9+