3-[7,12-bis(ethenyl)-18-[3-[[1-[[3-(1H-imidazol-5-yl)-1-[(1-methoxy-1-oxidanylidene-propan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propyl]-3,8,13,17-tetramethyl-porphyrin-22,24-diid-2-yl]propanoic acid; iron(2+)

Systemtic Name: 3-[7,12-bis(ethenyl)-18-[3-[[1-[[3-(1H-imidazol-5-yl)-1-[(1-methoxy-1-oxidanylidene-propan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propyl]-3,8,13,17-tetramethyl-porphyrin-22,24-diid-2-yl]propanoic acid; iron(2+) Openeye Name: ferrous 3-[18-[3-[[1-[[1-(1H-imidazol-5-ylmethyl)-2-[(2-methoxy-1-methyl-2-oxo-ethyl)amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-3-oxo-propyl]-3,8,13,17-tetramethyl-7,12-divinyl-porphyrin-22,24-diid-2-yl]propanoic acid CAS Name: 3-[7,12-bis(ethenyl)-18-[3-[[1-[[3-(1H-imidazol-5-yl)-1-[(1-methoxy-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]-3,8,13,17-tetramethyl-2-porphyrin-22,24-diidyl]propanoic acid; iron(2+) IUPAC Name: 3-[7,12-bis(ethenyl)-18-[3-[[1-[[3-(1H-imidazol-5-yl)-1-[(1-methoxy-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]-3,8,13,17-tetramethylporphyrin-22,24-diid-2-yl]propanoic acid; iron(2+) Traditional Name: ferrous 3-[18-[3-[[1-[[1-(1H-imidazol-5-ylmethyl)-2-keto-2-[(2-keto-2-methoxy-1-methyl-ethyl)amino]ethyl]carbamoyl]-3-methyl-butyl]amino]-3-keto-propyl]-3,8,13,17-tetramethyl-7,12-divinyl-porphine-22,24-diid-2-yl]propionic acid Formula: C50H57FeN9O7 MolecularWeight: 951.88868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C)CCC(=O)NC(CC(C)C)C(=O)NC(CC6=CN=CN6)C(=O)NC(C)C(=O)OC)C(=C3C)CCC(=O)O)C=C.[Fe+2]

Isomeric SMILES

CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C)CCC(=O)NC(CC(C)C)C(=O)NC(CC6=CN=CN6)C(=O)NC(C)C(=O)OC)C(=C3C)CCC(=O)O)C=C.[Fe+2]

InChI

InChI=1S/C50H59N9O7.Fe/c1-11-32-26(5)36-19-37-28(7)34(13-15-46(60)58-44(17-25(3)4)49(64)59-45(18-31-23-51-24-52-31)48(63)53-30(9)50(65)66-10)42(56-37)22-43-35(14-16-47(61)62)29(8)39(57-43)21-41-33(12-2)27(6)38(55-41)20-40(32)54-36;/h11-12,19-25,30,44-45H,1-2,13-18H2,3-10H3,(H7,51,52,53,54,55,56,57,58,59,60,61,62,63,64);/q;+2/p-2