[5-[12-[[6-azaniumyl-2-(12-azanyldodecanoylamino)hexanoyl]amino]dodecanoylamino]-6-oxidanyl-6-oxidanylidene-hexyl]azanium

Systemtic Name: [5-[12-[[6-azaniumyl-2-(12-azanyldodecanoylamino)hexanoyl]amino]dodecanoylamino]-6-oxidanyl-6-oxidanylidene-hexyl]azanium Openeye Name: [5-(12-aminododecanoylamino)-6-[[12-[(5-azaniumyl-1-carboxy-pentyl)amino]-12-oxo-dodecyl]amino]-6-oxo-hexyl]ammonium CAS Name: [5-[(12-amino-1-oxododecyl)amino]-6-[[12-[(6-ammonio-1-hydroxy-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-6-oxohexyl]ammonium IUPAC Name: [5-[12-[[2-(12-aminododecanoylamino)-6-azaniumylhexanoyl]amino]dodecanoylamino]-6-hydroxy-6-oxohexyl]azanium Traditional Name: [5-(12-aminododecanoylamino)-6-[[12-[(5-ammonio-1-carboxy-pentyl)amino]-12-keto-dodecyl]amino]-6-keto-hexyl]ammonium Formula: C36H74N6O5+2 MolecularWeight: 671.00996

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCC(=O)NC(CCCC[NH3+])C(=O)NCCCCCCCCCCCC(=O)NC(CCCC[NH3+])C(=O)O)CCCCCN

Isomeric SMILES

C(CCCCCC(=O)NC(CCCC[NH3+])C(=O)NCCCCCCCCCCCC(=O)NC(CCCC[NH3+])C(=O)O)CCCCCN

InChI

InChI=1S/C36H72N6O5/c37-27-19-13-9-5-1-3-7-11-15-25-33(43)41-31(23-17-20-28-38)35(45)40-30-22-14-10-6-2-4-8-12-16-26-34(44)42-32(36(46)47)24-18-21-29-39/h31-32H,1-30,37-39H2,(H,40,45)(H,41,43)(H,42,44)(H,46,47)/p+2