4,4-bis[8-[bis(azanyl)methylideneamino]octanoylamino]butanoic acid

Systemtic Name: 4,4-bis[8-[bis(azanyl)methylideneamino]octanoylamino]butanoic acid Openeye Name: 4,4-bis(8-guanidinooctanoylamino)butanoic acid CAS Name: 4,4-bis[[8-(diaminomethylideneamino)-1-oxooctyl]amino]butanoic acid IUPAC Name: 4,4-bis[8-(diaminomethylideneamino)octanoylamino]butanoic acid Traditional Name: 4,4-bis(8-guanidinooctanoylamino)butyric acid Formula: C22H44N8O4 MolecularWeight: 484.63596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCCC(=O)NC(CCC(=O)O)NC(=O)CCCCCCCN=C(N)N)CCCN=C(N)N

Isomeric SMILES

C(CCCC(=O)NC(CCC(=O)O)NC(=O)CCCCCCCN=C(N)N)CCCN=C(N)N

InChI

InChI=1S/C22H44N8O4/c23-21(24)27-15-9-5-1-3-7-11-18(31)29-17(13-14-20(33)34)30-19(32)12-8-4-2-6-10-16-28-22(25)26/h17H,1-16H2,(H,29,31)(H,30,32)(H,33,34)(H4,23,24,27)(H4,25,26,28)