3-[18-[3-[[1-[[1-decoxy-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propyl]-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid; iron(3+); trichloride

Systemtic Name: 3-[18-[3-[[1-[[1-decoxy-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propyl]-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid; iron(3+); trichloride Openeye Name: ferric 3-[18-[3-[[2-[[2-decoxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-3-oxo-propyl]-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid trichloride CAS Name: 3-[18-[3-[[1-[[1-decoxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid; iron(3+); trichloride IUPAC Name: 3-[18-[3-[[1-[[1-decoxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid; iron(3+); trichloride Traditional Name: ferric 3-[18-[3-[[2-[[2-decoxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-3-keto-propyl]-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphin-2-yl]propionic acid trichloride Formula: C53H70Cl3FeN8O6 MolecularWeight: 1077.3769

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C(CC1=CN=CN1)NC(=O)C(C)NC(=O)CCC2=C(C3=NC2=CC4=NC(=CC5=C(C(=C(N5)C=C6C(=C(C(=C3)N6)CC)C)CC)C)C(=C4CCC(=O)O)C)C.[Cl-].[Cl-].[Cl-].[Fe+3]

Isomeric SMILES

CCCCCCCCCCOC(=O)C(CC1=CN=CN1)NC(=O)C(C)NC(=O)CCC2=C(C3=NC2=CC4=NC(=CC5=C(C(=C(N5)C=C6C(=C(C(=C3)N6)CC)C)CC)C)C(=C4CCC(=O)O)C)C.[Cl-].[Cl-].[Cl-].[Fe+3]

InChI

InChI=1S/C53H70N8O6.3ClH.Fe/c1-9-12-13-14-15-16-17-18-23-67-53(66)49(24-36-29-54-30-55-36)61-52(65)35(8)56-50(62)21-19-39-33(6)44-27-46-38(11-3)32(5)43(58-46)26-45-37(10-2)31(4)41(57-45)25-42-34(7)40(20-22-51(63)64)48(59-42)28-47(39)60-44;;;;/h25-30,35,49,57-58H,9-24H2,1-8H3,(H,54,55)(H,56,62)(H,61,65)(H,63,64);3*1H;/q;;;;+3/p-3