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cobalt(3+); diethyl 2-methanidyl-2-methyl-propanedioate; (3S)-4-(dihexadecylamino)-N-[(1Z,2S,5E,7S,8S,9Z,12S,13S,14S,16S,17R,18R)-3,3,8,10,13,14,18,20-octamethyl-8,13,17-tris(2-oxidanylidene-2-propoxy-ethyl)-2,7,12,18-tetrakis(3-oxidanylidene-3-propoxy-propyl)-7,12,15,16,17,22-hexahydro-2H-porphyrin-5-yl]-4-oxidanylidene-3-[6-(trimethylazaniumyl)hexanoylamino]butanimidate; bromide; perchlorate

Systemtic Name:	cobalt(3+); diethyl 2-methanidyl-2-methyl-propanedioate; (3S)-4-(dihexadecylamino)-N-[(1Z,2S,5E,7S,8S,9Z,12S,13S,14S,16S,17R,18R)-3,3,8,10,13,14,18,20-octamethyl-8,13,17-tris(2-oxidanylidene-2-propoxy-ethyl)-2,7,12,18-tetrakis(3-oxidanylidene-3-propoxy-propyl)-7,12,15,16,17,22-hexahydro-2H-porphyrin-5-yl]-4-oxidanylidene-3-[6-(trimethylazaniumyl)hexanoylamino]butanimidate; bromide; perchlorate
Openeye Name:	cobaltic; diethyl 2-methanidyl-2-methyl-propanedioate; (3S)-4-(dihexadecylamino)-N-[(1Z,2S,5E,7S,8S,9Z,12S,13S,14S,16S,17R,18R)-3,3,8,10,13,14,18,20-octamethyl-8,13,17-tris(2-oxo-2-propoxy-ethyl)-2,7,12,18-tetrakis(3-oxo-3-propoxy-propyl)-7,12,15,16,17,22-hexahydro-2H-porphyrin-5-yl]-4-oxo-3-[6-(trimethylammonio)hexanoylamino]butanimidate; bromide; perchlorate
CAS Name:	cobalt(3+); (3S)-4-(dihexadecylamino)-N-[(1Z,2S,5E,7S,8S,9Z,12S,13S,14S,16S,17R,18R)-3,3,8,10,13,14,18,20-octamethyl-8,13,17-tris(2-oxo-2-propoxyethyl)-2,7,12,18-tetrakis(3-oxo-3-propoxypropyl)-7,12,15,16,17,22-hexahydro-2H-porphyrin-5-yl]-4-oxo-3-[[1-oxo-6-(trimethylammonio)hexyl]amino]butanimidate; 2-methanidyl-2-methylpropanedioic acid diethyl ester; bromide; perchlorate
IUPAC Name:	cobalt(3+); diethyl 2-methanidyl-2-methylpropanedioate; (3S)-4-(dihexadecylamino)-N-[(1Z,2S,5E,7S,8S,9Z,12S,13S,14S,16S,17R,18R)-3,3,8,10,13,14,18,20-octamethyl-8,13,17-tris(2-oxo-2-propoxyethyl)-2,7,12,18-tetrakis(3-oxo-3-propoxypropyl)-7,12,15,16,17,22-hexahydro-2H-porphyrin-5-yl]-4-oxo-3-[6-(trimethylazaniumyl)hexanoylamino]butanimidate; bromide; perchlorate
Traditional Name:	cobaltic; (3S)-4-(dicetylamino)-4-keto-3-[6-(trimethylammonio)hexanoylamino]-N-[(1Z,2S,5E,7S,8S,9Z,12S,13S,14S,16S,17R,18R)-8,13,17-tris(2-keto-2-propoxy-ethyl)-2,7,12,18-tetrakis(3-keto-3-propoxy-propyl)-3,3,8,10,13,14,18,20-octamethyl-7,12,15,16,17,22-hexahydro-2H-porphin-5-yl]butyrimidate; 2-methanidyl-2-methyl-malonic acid diethyl ester; bromide; perchlorate
Formula:	C₁₂₁H₂₀₇BrClCoN₈O₂₅
MolecularWeight:	2348.26708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C(=O)C(CC(=NC1=C2C(C(C(=C(C3=NC(CC4C(C(C(=N4)C(=C5C(C(C1=N5)(C)C)CCC(=O)OCCC)C)(C)CCC(=O)OCCC)CC(=O)OCCC)(C(C3CCC(=O)OCCC)(C)CC(=O)OCCC)C)C)N2)(C)CC(=O)OCCC)CCC(=O)OCCC)[O-])NC(=O)CCCCC[N+](C)(C)C.CCOC(=O)C(C)([CH2-])C(=O)OCC.[O-]Cl(=O)(=O)=O.[Co+3].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C(=O)[C@H](CC(=N/C/1=C/2\[C@H]([C@](/C(=C(/C3=N[C@@](C[C@H]4[C@@H]([C@@](C(=N4)/C(=C\5/[C@H](C(C1=N5)(C)C)CCC(=O)OCCC)/C)(C)CCC(=O)OCCC)CC(=O)OCCC)([C@@]([C@@H]3CCC(=O)OCCC)(C)CC(=O)OCCC)C)\C)/N2)(C)CC(=O)OCCC)CCC(=O)OCCC)[O-])NC(=O)CCCCC[N+](C)(C)C.CCOC(=O)C(C)([CH2-])C(=O)OCC.[O-]Cl(=O)(=O)=O.[Co+3].[Br-]

InChI

InChI=1S/C112H192N8O17.C9H15O4.BrH.ClHO4.Co/c1-21-30-32-34-36-38-40-42-44-46-48-50-52-56-68-119(69-57-53-51-49-47-45-43-41-39-37-35-33-31-22-2)107(130)89(113-91(121)59-55-54-58-70-120(18,19)20)79-92(122)115-103-102-86(61-64-94(124)132-72-24-4)110(15,81-98(128)136-76-28-8)105(117-102)84(11)101-87(62-65-95(125)133-73-25-5)111(16,82-99(129)137-77-29-9)112(17,118-101)80-90-88(78-97(127)135-75-27-7)109(14,67-66-96(126)134-74-26-6)104(114-90)83(10)100-85(108(12,13)106(103)116-100)60-63-93(123)131-71-23-3;1-5-12-7(10)9(3,4)8(11)13-6-2;;2-1(3,4)5;/h85-90H,21-82H2,1-20H3,(H2-,113,114,115,116,117,118,121,122);3,5-6H2,1-2,4H3;1H;(H,2,3,4,5);/q;-1;;;+3/p-2/t85-,86-,87-,88+,89+,90+,109-,110+,111+,112+;;;;/m1..../s1

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