iron(3+); [(2R,3S,4S,6R)-6-[(3R,4S,5S,6R)-6-[1-(methylamino)-2-oxidanyl-ethyl]-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-3,4-bis(oxidanyl)-5-oxidanylidene-oxan-2-yl]methyl 4-oxidanylidene-4-[oxidanyl-[5-[[4-oxidanylidene-4-[oxidanyl-[5-[[4-oxidanylidene-4-[oxidanyl(4-oxidanylbutyl)amino]butanoyl]amino]pentyl]amino]butanoyl]amino]pentyl]amino]butanoate

Systemtic Name: iron(3+); [(2R,3S,4S,6R)-6-[(3R,4S,5S,6R)-6-[1-(methylamino)-2-oxidanyl-ethyl]-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-3,4-bis(oxidanyl)-5-oxidanylidene-oxan-2-yl]methyl 4-oxidanylidene-4-[oxidanyl-[5-[[4-oxidanylidene-4-[oxidanyl-[5-[[4-oxidanylidene-4-[oxidanyl(4-oxidanylbutyl)amino]butanoyl]amino]pentyl]amino]butanoyl]amino]pentyl]amino]butanoate Openeye Name: ferric [(2R,3S,4S,6R)-3,4-dihydroxy-5-oxo-6-[(3R,4S,5S,6R)-2,4,5-trihydroxy-6-[2-hydroxy-1-(methylamino)ethyl]tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl 4-[hydroxy-[5-[[4-[hydroxy-[5-[[4-[hydroxy(4-hydroxybutyl)amino]-4-oxo-butanoyl]amino]pentyl]amino]-4-oxo-butanoyl]amino]pentyl]amino]-4-oxo-butanoate CAS Name: 4-[hydroxy-[5-[[4-[hydroxy-[5-[[4-[hydroxy(4-hydroxybutyl)amino]-1,4-dioxobutyl]amino]pentyl]amino]-1,4-dioxobutyl]amino]pentyl]amino]-4-oxobutanoic acid [(2R,3S,4S,6R)-3,4-dihydroxy-5-oxo-6-[[(3R,4S,5S,6R)-2,4,5-trihydroxy-6-[2-hydroxy-1-(methylamino)ethyl]-3-oxanyl]oxy]-2-oxanyl]methyl ester; iron(3+) IUPAC Name: [(2R,3S,4S,6R)-3,4-dihydroxy-5-oxo-6-[(3R,4S,5S,6R)-2,4,5-trihydroxy-6-[2-hydroxy-1-(methylamino)ethyl]oxan-3-yl]oxyoxan-2-yl]methyl 4-[hydroxy-[5-[[4-[hydroxy-[5-[[4-[hydroxy(4-hydroxybutyl)amino]-4-oxobutanoyl]amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]amino]-4-oxobutanoate; iron(3+) Traditional Name: ferric 4-[hydroxy-[5-[[4-[hydroxy-[5-[[4-[hydroxy(4-hydroxybutyl)amino]-4-keto-butanoyl]amino]pentyl]amino]-4-keto-butanoyl]amino]pentyl]amino]-4-keto-butyric acid [(2R,3S,4S,6R)-3,4-dihydroxy-5-keto-6-[(3R,4S,5S,6R)-2,4,5-trihydroxy-6-[2-hydroxy-1-(methylamino)ethyl]tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C40H70FeN6O21+3 MolecularWeight: 1026.8564

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CO)C1C(C(C(C(O1)O)OC2C(=O)C(C(C(O2)COC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCO)O)O)O)O)O)O)O.[Fe+3]

Isomeric SMILES

CNC(CO)[C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O[C@@H]2C(=O)[C@H]([C@@H]([C@H](O2)COC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCO)O)O)O)O)O)O)O.[Fe+3]

InChI

InChI=1S/C40H70N6O21.Fe/c1-41-24(22-48)37-34(57)35(58)38(39(60)66-37)67-40-36(59)33(56)32(55)25(65-40)23-64-31(54)15-14-30(53)45(62)19-7-3-5-17-42-26(49)10-12-28(51)44(61)18-6-2-4-16-43-27(50)11-13-29(52)46(63)20-8-9-21-47;/h24-25,32-35,37-41,47-48,55-58,60-63H,2-23H2,1H3,(H,42,49)(H,43,50);/q;+3/t24?,25-,32-,33+,34+,35+,37-,38-,39?,40-;/m1./s1