2-azanyl-6-[3,5-bis(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-2-(4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl)pyridin-1-ium-1-yl]hexanoic acid

Systemtic Name: 2-azanyl-6-[3,5-bis(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-2-(4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl)pyridin-1-ium-1-yl]hexanoic acid Openeye Name: 2-amino-6-[3,5-bis(3-amino-4-hydroxy-4-oxo-butyl)-2-(4-amino-5-hydroxy-5-oxo-pentyl)pyridin-1-ium-1-yl]hexanoic acid CAS Name: 2-amino-6-[3,5-bis(3-amino-4-hydroxy-4-oxobutyl)-2-(4-amino-5-hydroxy-5-oxopentyl)-1-pyridin-1-iumyl]hexanoic acid IUPAC Name: 2-amino-6-[3,5-bis(3-amino-4-hydroxy-4-oxobutyl)-2-(4-amino-5-hydroxy-5-oxopentyl)pyridin-1-ium-1-yl]hexanoic acid Traditional Name: 2-amino-6-[3,5-bis(3-amino-4-hydroxy-4-keto-butyl)-2-(4-amino-5-hydroxy-5-keto-pentyl)pyridin-1-ium-1-yl]hexanoic acid Formula: C24H40N5O8+ MolecularWeight: 526.6031

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=[N+](C(=C1CCC(C(=O)O)N)CCCC(C(=O)O)N)CCCCC(C(=O)O)N)CCC(C(=O)O)N

Isomeric SMILES

C1=C(C=[N+](C(=C1CCC(C(=O)O)N)CCCC(C(=O)O)N)CCCCC(C(=O)O)N)CCC(C(=O)O)N

InChI

InChI=1S/C24H39N5O8/c25-16(21(30)31)4-1-2-11-29-13-14(7-9-18(27)23(34)35)12-15(8-10-19(28)24(36)37)20(29)6-3-5-17(26)22(32)33/h12-13,16-19H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1