5-[bis(azanyl)methylideneamino]-2-[bis(3-octadecoxy-2-oxidanyl-propyl)amino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[bis(3-octadecoxy-2-oxidanyl-propyl)amino]pentanoic acid Openeye Name: 2-[bis(2-hydroxy-3-octadecoxy-propyl)amino]-5-guanidino-pentanoic acid CAS Name: 2-[bis(2-hydroxy-3-octadecoxypropyl)amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[bis(2-hydroxy-3-octadecoxypropyl)amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[bis(2-hydroxy-3-stearyloxy-propyl)amino]-5-guanidino-valeric acid Formula: C48H98N4O6 MolecularWeight: 827.31492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CN(CC(COCCCCCCCCCCCCCCCCCC)O)C(CCCN=C(N)N)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CN(CC(COCCCCCCCCCCCCCCCCCC)O)C(CCCN=C(N)N)C(=O)O)O

InChI

InChI=1S/C48H98N4O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-57-42-44(53)40-52(46(47(55)56)36-35-37-51-48(49)50)41-45(54)43-58-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h44-46,53-54H,3-43H2,1-2H3,(H,55,56)(H4,49,50,51)