2-azanyl-6-[3-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-5-oxidanyl-pyridin-1-ium-1-yl]-5-oxidanyl-hexanoate

Systemtic Name: 2-azanyl-6-[3-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-5-oxidanyl-pyridin-1-ium-1-yl]-5-oxidanyl-hexanoate Openeye Name: 2-amino-6-[3-(3-amino-4-hydroxy-4-oxo-butyl)-4-(2-amino-3-hydroxy-3-oxo-propyl)-5-hydroxy-pyridin-1-ium-1-yl]-5-hydroxy-hexanoate CAS Name: 2-amino-6-[3-(3-amino-4-hydroxy-4-oxobutyl)-4-(2-amino-3-hydroxy-3-oxopropyl)-5-hydroxy-1-pyridin-1-iumyl]-5-hydroxyhexanoate IUPAC Name: 2-amino-6-[3-(3-amino-4-hydroxy-4-oxobutyl)-4-(2-amino-3-hydroxy-3-oxopropyl)-5-hydroxypyridin-1-ium-1-yl]-5-hydroxyhexanoate Traditional Name: 2-amino-6-[3-(3-amino-4-hydroxy-4-keto-butyl)-4-(2-amino-3-hydroxy-3-keto-propyl)-5-hydroxy-pyridin-1-ium-1-yl]-5-hydroxy-hexanoate Formula: C18H28N4O8 MolecularWeight: 428.43692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O8/c19-12(16(25)26)3-1-9-6-22(7-10(23)2-4-13(20)17(27)28)8-15(24)11(9)5-14(21)18(29)30/h6,8,10,12-14,23H,1-5,7,19-21H2,(H3-,24,25,26,27,28,29,30)