IUPAC Name :3-[7,12-bis[1-[2-amino-3-(methylamino)-3-oxopropyl]sulfanylethyl]-18-(2-carboxyethyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoicacid;iron(2+)
InChI :InChI=1/C42H54N8O6S2.Fe/c1-19-25(9-11-37(51)52)33-16-34-26(10-12-38(53)54)20(2)30(48-34)14-35-40(24(6)58-18-28(44)42(56)46-8)22(4)32(50-35)15-36-39(21(3)31(49-36)13-29(19)47-33)23(5)57-17-27(43)41(55)45-7;/h13-16,23-24,27-28H,9-12,17-18,43-44H2,1-8H3,(H6,45,46,47,48,49,50,51,52,53,54,55,56);/q;+2/p-2/b29-13-,30-14-,31-13-,32-15-,33-16-,34-16-,35-14-,36-15-;
Std.InChI: InChI=1S/C42H54N8O6S2.Fe/c1-19-25(9-11-37(51)52)33-16-34-26(10-12-38(53)54)20(2)30(48-34)14-35-40(24(6)58-18-28(44)42(56)46-8)22(4)32(50-35)15-36-39(21(3)31(49-36)13-29(19)47-33)23(5)57-17-27(43)41(55)45-7;/h13-16,23-24,27-28H,9-12,17-18,43-44H2,1-8H3,(H6,45,46,47,48,49,50,51,52,53,54,55,56);/q;+2/p-2/b29-13-,30-14-,31-13-,32-15-,33-16-,34-16-,35-14-,36-15-;
InChIKey :WFVBWSTZNVJEAY-LQYMXSBUBL
Std.InChIKey: WFVBWSTZNVJEAY-VQGVYVAWSA-L
SMILES :Cc1/c/2c/c3n/c(c\c4c(c(c([n-]4)/cc/5\nc(/cc(/c1CCC(=O)O)\[n-]2)C(=C5C)CCC(=O)O)C)C(C)SCC(C(=O)NC)N)/C(=C3C(C)SCC(C(=O)NC)N)C.[Fe+2]
MDL: MFCD00130890