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cobalt; [(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-oxidanidyl-2,3-dihydrobenzimidazol-1-yl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(9Z,14Z,19Z)-3,7,12,13-tetrakis(2-azanyl-2-oxidanylidene-ethyl)-8,18-bis(3-azanyl-3-oxidanylidene-propyl)-2,7,10,12,17,17,20-heptamethyl-1,3,4,5,6,8,11,13,16,18-decahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoylamino]propan-2-yl phosphate

Systemtic Name:	cobalt; [(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-oxidanidyl-2,3-dihydrobenzimidazol-1-yl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(9Z,14Z,19Z)-3,7,12,13-tetrakis(2-azanyl-2-oxidanylidene-ethyl)-8,18-bis(3-azanyl-3-oxidanylidene-propyl)-2,7,10,12,17,17,20-heptamethyl-1,3,4,5,6,8,11,13,16,18-decahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoylamino]propan-2-yl phosphate
Openeye Name:	cobalt; [(2R,3S,4R,5S)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxido-2,3-dihydrobenzimidazol-1-yl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[(9Z,14Z,19Z)-3,7,12,13-tetrakis(2-amino-2-oxo-ethyl)-8,18-bis(3-amino-3-oxo-propyl)-2,7,10,12,17,17,20-heptamethyl-1,3,4,5,6,8,11,13,16,18-decahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoylamino]ethyl] phosphate
CAS Name:	cobalt; [(2R,3S,4R,5S)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxido-2,3-dihydrobenzimidazol-1-yl)-3-oxolanyl] 1-[[1-oxo-3-[(9Z,14Z,19Z)-3,7,12,13-tetrakis(2-amino-2-oxoethyl)-8,18-bis(3-amino-3-oxopropyl)-2,7,10,12,17,17,20-heptamethyl-1,3,4,5,6,8,11,13,16,18-decahydroporphyrin-21,22,23,24-tetraid-2-yl]propyl]amino]propan-2-yl phosphate
IUPAC Name:	cobalt; [(2R,3S,4R,5S)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxido-2,3-dihydrobenzimidazol-1-yl)oxolan-3-yl] 1-[3-[(9Z,14Z,19Z)-3,7,12,13-tetrakis(2-amino-2-oxoethyl)-8,18-bis(3-amino-3-oxopropyl)-2,7,10,12,17,17,20-heptamethyl-1,3,4,5,6,8,11,13,16,18-decahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoylamino]propan-2-yl phosphate
Traditional Name:	cobalt; [(2R,3S,4R,5S)-4-hydroxy-2-methylol-5-(6-oxido-2,3-dihydrobenzimidazol-1-yl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[(9Z,14Z,19Z)-3,7,12,13-tetrakis(2-amino-2-keto-ethyl)-8,18-bis(3-amino-3-keto-propyl)-2,7,10,12,17,17,20-heptamethyl-1,3,4,5,6,8,11,13,16,18-decahydroporphine-21,22,23,24-tetraid-2-yl]propanoylamino]ethyl] phosphate
Formula:	C₅₉H₈₆CoN₁₃O₁₅P-6
MolecularWeight:	1307.299201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(C([N-]2)C=C3C(C(C([N-]3)C(=C4C(C(C([N-]4)CC5C(C(C1[N-]5)(C)CCC(=O)NCC(C)OP(=O)([O-])OC6C(OC(C6O)N7CNC8=C7C=C(C=C8)[O-])CO)CC(=O)N)(C)CC(=O)N)CCC(=O)N)C)(C)CC(=O)N)CC(=O)N)(C)C)CCC(=O)N.[Co]

Isomeric SMILES

C/C/1=C/2\C(C(C([N-]2)/C=C\3/C(C(C([N-]3)/C(=C\4/C(C(C([N-]4)CC5C(C(C1[N-]5)(C)CCC(=O)NCC(C)OP(=O)([O-])O[C@@H]6[C@H](O[C@@H]([C@@H]6O)N7CNC8=C7C=C(C=C8)[O-])CO)CC(=O)N)(C)CC(=O)N)CCC(=O)N)/C)(C)CC(=O)N)CC(=O)N)(C)C)CCC(=O)N.[Co]

InChI

InChI=1S/C59H88N13O15P.Co/c1-27(86-88(83,84)87-52-39(25-73)85-55(51(52)82)72-26-67-35-12-9-30(74)17-38(35)72)24-66-48(81)15-16-57(6)33(18-44(62)77)37-21-41-58(7,22-46(64)79)32(11-14-43(61)76)50(71-41)29(3)54-59(8,23-47(65)80)34(19-45(63)78)36(69-54)20-40-56(4,5)31(10-13-42(60)75)49(70-40)28(2)53(57)68-37;/h9,12,17,20,27,31-34,37,39-41,51-55,67,73-74,82H,10-11,13-16,18-19,21-26H2,1-8H3,(H2,60,75)(H2,61,76)(H2,62,77)(H2,63,78)(H2,64,79)(H2,65,80)(H,66,81)(H,83,84);/q-4;/p-2/b36-20-,49-28-,50-29-;/t27?,31?,32?,33?,34?,37?,39-,40?,41?,51-,52-,53?,54?,55+,57?,58?,59?;/m1./s1

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