1-[3-[(4Z,9Z,14Z)-2,18-bis(2-azanyl-2-oxidanylidene-ethyl)-7,12,13,17-tetrakis(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18-heptamethyl-1,2,7,12,17,19-hexahydrocorrin-21-id-3-yl]propanoylamino]propan-2-yl [2-(hydroxymethyl)-5-(4-methylphenoxy)-4-oxidanyl-oxolan-3-yl] phosphate; cobalt(3+); dicyanide

Systemtic Name: 1-[3-[(4Z,9Z,14Z)-2,18-bis(2-azanyl-2-oxidanylidene-ethyl)-7,12,13,17-tetrakis(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18-heptamethyl-1,2,7,12,17,19-hexahydrocorrin-21-id-3-yl]propanoylamino]propan-2-yl [2-(hydroxymethyl)-5-(4-methylphenoxy)-4-oxidanyl-oxolan-3-yl] phosphate; cobalt(3+); dicyanide Openeye Name: cobaltic [2-[3-[(4Z,9Z,14Z)-2,18-bis(2-amino-2-oxo-ethyl)-7,12,13,17-tetrakis(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18-heptamethyl-1,2,7,12,17,19-hexahydrocorrin-21-id-3-yl]propanoylamino]-1-methyl-ethyl] [4-hydroxy-2-(hydroxymethyl)-5-(4-methylphenoxy)tetrahydrofuran-3-yl] phosphate dicyanide CAS Name: 1-[[3-[(4Z,9Z,14Z)-2,18-bis(2-amino-2-oxoethyl)-7,12,13,17-tetrakis(3-amino-3-oxopropyl)-3,5,8,8,13,15,18-heptamethyl-1,2,7,12,17,19-hexahydrocorrin-21-id-3-yl]-1-oxopropyl]amino]propan-2-yl [4-hydroxy-2-(hydroxymethyl)-5-(4-methylphenoxy)-3-oxolanyl] phosphate; cobalt(3+); dicyanide IUPAC Name: 1-[3-[(4Z,9Z,14Z)-2,18-bis(2-amino-2-oxoethyl)-7,12,13,17-tetrakis(3-amino-3-oxopropyl)-3,5,8,8,13,15,18-heptamethyl-1,2,7,12,17,19-hexahydrocorrin-21-id-3-yl]propanoylamino]propan-2-yl [4-hydroxy-2-(hydroxymethyl)-5-(4-methylphenoxy)oxolan-3-yl] phosphate; cobalt(3+); dicyanide Traditional Name: cobaltic [2-[3-[(4Z,9Z,14Z)-2,18-bis(2-amino-2-keto-ethyl)-7,12,13,17-tetrakis(3-amino-3-keto-propyl)-3,5,8,8,13,15,18-heptamethyl-1,2,7,12,17,19-hexahydrocorrin-21-id-3-yl]propanoylamino]-1-methyl-ethyl] [4-hydroxy-2-methylol-5-(4-methylphenoxy)tetrahydrofuran-3-yl] phosphate dicyanide Formula: C62H86CoN13O15P- MolecularWeight: 1343.331301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2C(C(C(O2)CO)OP(=O)([O-])OC(C)CNC(=O)CCC3(C(C4C5C(C(C(=N5)C(=C6C(C(C(=N6)C=C7C(C(C(=N7)C(=C3[N-]4)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CCC(=O)N)C)CCC(=O)N)(C)CC(=O)N)CC(=O)N)C)O.[C-]#N.[C-]#N.[Co+3]

Isomeric SMILES

CC1=CC=C(C=C1)OC2C(C(C(O2)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\3(C(C4C5C(C(C(=N5)/C(=C\6/C(C(C(=N6)/C=C\7/C(C(C(=N7)/C(=C3\[N-]4)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CCC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)CC(=O)N)C)O.[C-]#N.[C-]#N.[Co+3]

InChI

InChI=1S/C60H88N11O15P.2CN.Co/c1-29-10-12-33(13-11-29)83-56-51(80)52(39(28-72)84-56)86-87(81,82)85-30(2)27-67-47(79)21-23-59(8)37(24-45(65)77)50-55-60(9,26-46(66)78)36(16-19-43(63)75)49(70-55)32(4)53-58(7,22-20-44(64)76)34(14-17-41(61)73)38(68-53)25-40-57(5,6)35(15-18-42(62)74)48(69-40)31(3)54(59)71-50;2*1-2;/h10-13,25,30,34-37,39,50-52,55-56,72,80H,14-24,26-28H2,1-9H3,(H15,61,62,63,64,65,66,67,68,69,70,71,73,74,75,76,77,78,79,81,82);;;/q;2*-1;+3/p-2