2-[2-[[2-[2-[[(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]carbonylamino]ethylamino]-2-oxidanylidene-ethyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]ethyl-(carboxymethyl)amino]ethanoic acid; manganese

Systemtic Name: 2-[2-[[2-[2-[[(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]carbonylamino]ethylamino]-2-oxidanylidene-ethyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]ethyl-(carboxymethyl)amino]ethanoic acid; manganese Openeye Name: 2-[2-[[2-[2-[[(2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carbonyl]amino]ethylamino]-2-oxo-ethyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]ethyl-(carboxymethyl)amino]acetic acid; manganese CAS Name: 2-[2-[[2-[2-[[[(2S,3S,4S,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]-oxomethyl]amino]ethylamino]-2-oxoethyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]ethyl-(carboxymethyl)amino]acetic acid; manganese IUPAC Name: 2-[2-[[2-[2-[[(2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carbonyl]amino]ethylamino]-2-oxoethyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]ethyl-(carboxymethyl)amino]acetic acid; manganese Traditional Name: 2-[2-[[2-[2-[[(2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carbonyl]amino]ethylamino]-2-keto-ethyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]ethyl-(carboxymethyl)amino]acetic acid; manganese Formula: C30H50MnN6O20 MolecularWeight: 869.684249

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1O)CO)O)OC2C(C(C(C(O2)C(=O)NCCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)O)O)O.[Mn]

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)NCCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)O)O)O.[Mn]

InChI

InChI=1S/C30H50N6O20.Mn/c1-14(38)33-21-26(22(48)15(13-37)54-29(21)53)55-30-25(51)23(49)24(50)27(56-30)28(52)32-3-2-31-16(39)8-34(4-6-35(9-17(40)41)10-18(42)43)5-7-36(11-19(44)45)12-20(46)47;/h15,21-27,29-30,37,48-51,53H,2-13H2,1H3,(H,31,39)(H,32,52)(H,33,38)(H,40,41)(H,42,43)(H,44,45)(H,46,47);/t15-,21-,22-,23+,24+,25-,26-,27+,29-,30-;/m1./s1