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

Systemtic Name: [5-[12-[[6-azaniumyl-2-(dodecanoylamino)hexanoyl]amino]dodecanoylamino]-6-oxidanyl-6-oxidanylidene-hexyl]azanium Openeye Name: [6-[[12-[(5-azaniumyl-1-carboxy-pentyl)amino]-12-oxo-dodecyl]amino]-5-(dodecanoylamino)-6-oxo-hexyl]ammonium CAS Name: [6-[[12-[(6-ammonio-1-hydroxy-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-6-oxo-5-(1-oxododecylamino)hexyl]ammonium IUPAC Name: [5-[12-[[6-azaniumyl-2-(dodecanoylamino)hexanoyl]amino]dodecanoylamino]-6-hydroxy-6-oxohexyl]azanium Traditional Name: [6-[[12-[(5-ammonio-1-carboxy-pentyl)amino]-12-keto-dodecyl]amino]-6-keto-5-(lauroylamino)hexyl]ammonium Formula: C36H73N5O5+2 MolecularWeight: 655.99532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H71N5O5/c1-2-3-4-5-6-8-11-14-17-26-33(42)40-31(24-19-21-28-37)35(44)39-30-23-16-13-10-7-9-12-15-18-27-34(43)41-32(36(45)46)25-20-22-29-38/h31-32H,2-30,37-38H2,1H3,(H,39,44)(H,40,42)(H,41,43)(H,45,46)/p+2