cobalt; [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(5Z,10Z,15Z)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18-heptamethyl-2,7,12,14,17,19,23,24-octahydro-1H-corrin-3-yl]propanoylamino]propan-2-yl hydrogen phosphate; oxygen(2-)

Systemtic Name: cobalt; [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(5Z,10Z,15Z)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18-heptamethyl-2,7,12,14,17,19,23,24-octahydro-1H-corrin-3-yl]propanoylamino]propan-2-yl hydrogen phosphate; oxygen(2-) Openeye Name: cobalt; [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[(5Z,10Z,15Z)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18-heptamethyl-2,7,12,14,17,19,23,24-octahydro-1H-corrin-3-yl]propanoylamino]ethyl] hydrogen phosphate; oxygen(2-) CAS Name: cobalt; [(2R,3S,4R,5S)-5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] 1-[[1-oxo-3-[(5Z,10Z,15Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18-heptamethyl-2,7,12,14,17,19,23,24-octahydro-1H-corrin-3-yl]propyl]amino]propan-2-yl hydrogen phosphate; oxygen(2-) IUPAC Name: cobalt; [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(5Z,10Z,15Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18-heptamethyl-2,7,12,14,17,19,23,24-octahydro-1H-corrin-3-yl]propanoylamino]propan-2-yl hydrogen phosphate; oxygen(2-) Traditional Name: cobalt; [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] [1-methyl-2-[3-[(5Z,10Z,15Z)-2,13,18-tris(2-amino-2-keto-ethyl)-7,12,17-tris(3-amino-3-keto-propyl)-3,5,8,8,13,15,18-heptamethyl-2,7,12,14,17,19,23,24-octahydro-1H-corrin-3-yl]propanoylamino]ethyl] hydrogen phosphate; oxygen(2-) Formula: C61H90CoN13O15P-2 MolecularWeight: 1335.352361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6C(C(C(=C(C7C(C(C(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)N7)CCC(=O)N)(C)CC(=O)N)C)N6)CCC(=O)N)(C)CC(=O)N)CC(=O)N)C)O.[O-2].[Co]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6C(C(/C(=C(/C7C(C(/C(=C/C8=N/C(=C(\C4=N5)/C)/C(C8(C)C)CCC(=O)N)/N7)CCC(=O)N)(C)CC(=O)N)\C)/N6)CCC(=O)N)(C)CC(=O)N)CC(=O)N)C)O.[O-2].[Co]

InChI

InChI=1S/C61H90N13O14P.Co.O/c1-28-19-38-39(20-29(28)2)74(27-69-38)57-52(83)53(40(26-75)86-57)88-89(84,85)87-30(3)25-68-48(82)17-18-59(8)36(21-45(65)79)51-56-61(10,24-47(67)81)35(13-16-44(64)78)50(72-56)32(5)55-60(9,23-46(66)80)33(11-14-42(62)76)37(70-55)22-41-58(6,7)34(12-15-43(63)77)49(71-41)31(4)54(59)73-51;;/h19-20,22,27,30,33-36,40,51-53,55-57,70,72,75,83H,11-18,21,23-26H2,1-10H3,(H2,62,76)(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H,68,82)(H,84,85);;/q;;-2/b37-22-,49-31-,50-32-;;/t30?,33?,34?,35?,36?,40-,51?,52-,53-,55?,56?,57+,59?,60?,61?;;/m1../s1