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-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-hexanoic acid

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-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-hexanoic acid 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-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-hexanoic acid 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-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]hexanoic acid 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-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyhexanoic acid 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-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-hexanoic acid Formula: C30H49N4O18+ MolecularWeight: 753.72606

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C=[N+]1CC(CCC(C(=O)O)N)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)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[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)CC(C(=O)O)N)CCC(C(=O)O)N

InChI

InChI=1S/C30H48N4O18/c31-14(26(43)44)3-1-11-6-34(8-17(37)13(11)5-16(33)28(47)48)7-12(2-4-15(32)27(45)46)49-30-25(23(41)21(39)19(10-36)51-30)52-29-24(42)22(40)20(38)18(9-35)50-29/h6,8,12,14-16,18-25,29-30,35-36,38-42H,1-5,7,9-10,31-33H2,(H3-,37,43,44,45,46,47,48)/p+1/t12?,14?,15?,16?,18-,19-,20-,21+,22+,23+,24-,25-,29+,30-/m1/s1