5-[bis(azanyl)methylideneamino]-2-[2-oxidanyldodecan-3-yloxy(propyl)amino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[2-oxidanyldodecan-3-yloxy(propyl)amino]pentanoic acid Openeye Name: 5-guanidino-2-[1-(1-hydroxyethyl)decoxy-propyl-amino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[2-hydroxydodecan-3-yloxy(propyl)amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[2-hydroxydodecan-3-yloxy(propyl)amino]pentanoic acid Traditional Name: 5-guanidino-2-[1-(1-hydroxyethyl)decoxy-propyl-amino]valeric acid Formula: C21H44N4O4 MolecularWeight: 416.59846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(C)O)ON(CCC)C(CCCN=C(N)N)C(=O)O

Isomeric SMILES

CCCCCCCCCC(C(C)O)ON(CCC)C(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C21H44N4O4/c1-4-6-7-8-9-10-11-14-19(17(3)26)29-25(16-5-2)18(20(27)28)13-12-15-24-21(22)23/h17-19,26H,4-16H2,1-3H3,(H,27,28)(H4,22,23,24)