4-azanyl-2-[bis[3-[[(E)-octadec-9-enyl]amino]propyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[bis[3-[[(E)-octadec-9-enyl]amino]propyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[bis[3-[[(E)-octadec-9-enyl]amino]propyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[bis[3-[[(E)-octadec-9-enyl]amino]propyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[bis[3-[[(E)-octadec-9-enyl]amino]propyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[bis[3-[[(E)-octadec-9-enyl]amino]propyl]amino]-4-keto-butyric acid Formula: C46H90N4O3 MolecularWeight: 747.2318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNCCCN(CCCNCCCCCCCCC=CCCCCCCCC)C(CC(=O)N)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNCCCN(C(C(=O)O)CC(=O)N)CCCNCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C46H90N4O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-48-39-35-41-50(44(46(52)53)43-45(47)51)42-36-40-49-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,44,48-49H,3-16,21-43H2,1-2H3,(H2,47,51)(H,52,53)/b19-17+,20-18+