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

Systemtic Name: 2-azanyl-5-[3,5-bis(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-1-(5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl)pyridin-1-ium-4-yl]pentanoate Openeye Name: 2-amino-5-[3,5-bis(3-amino-4-hydroxy-4-oxo-butyl)-1-(5-amino-6-hydroxy-6-oxo-hexyl)pyridin-1-ium-4-yl]pentanoate CAS Name: 2-amino-5-[3,5-bis(3-amino-4-hydroxy-4-oxobutyl)-1-(5-amino-6-hydroxy-6-oxohexyl)-4-pyridin-1-iumyl]pentanoate IUPAC Name: 2-amino-5-[3,5-bis(3-amino-4-hydroxy-4-oxobutyl)-1-(5-amino-6-hydroxy-6-oxohexyl)pyridin-1-ium-4-yl]pentanoate Traditional Name: 2-amino-5-[3,5-bis(3-amino-4-hydroxy-4-keto-butyl)-1-(5-amino-6-hydroxy-6-keto-hexyl)pyridin-1-ium-4-yl]valerate Formula: C24H39N5O8 MolecularWeight: 525.59516

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C=[N+]1CCCCC(C(=O)O)N)CCC(C(=O)O)N)CCCC(C(=O)[O-])N)CCC(C(=O)O)N

Isomeric SMILES

C1=C(C(=C(C=[N+]1CCCCC(C(=O)O)N)CCC(C(=O)O)N)CCCC(C(=O)[O-])N)CCC(C(=O)O)N

InChI

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