3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-bis[1-(2,2,2-trideuterioethanoyloxy)ethyl]-22,23-dihydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-bis[1-(2,2,2-trideuterioethanoyloxy)ethyl]-22,23-dihydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-bis[1-(2,2,2-trideuterioacetyl)oxyethyl]-22,23-dihydroporphyrin-2-yl]propanoic acid CAS Name: 3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-bis[1-(2,2,2-trideuterio-1-oxoethoxy)ethyl]-22,23-dihydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-bis[1-(2,2,2-trideuterioacetyl)oxyethyl]-22,23-dihydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-bis[1-(2,2,2-trideuterioacetyl)oxyethyl]-22,23-dihydroporphin-2-yl]propionic acid Formula: C38H42N4O8 MolecularWeight: 688.799051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)OC(=O)C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)OC(=O)C

Isomeric SMILES

[2H]C([2H])([2H])C(=O)OC(C)C1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C)C(C)OC(=O)C([2H])([2H])[2H])C

InChI

InChI=1S/C38H42N4O8/c1-17-25(9-11-35(45)46)31-16-32-26(10-12-36(47)48)18(2)28(40-32)14-33-38(22(6)50-24(8)44)20(4)30(42-33)15-34-37(21(5)49-23(7)43)19(3)29(41-34)13-27(17)39-31/h13-16,21-22,41-42H,9-12H2,1-8H3,(H,45,46)(H,47,48)/i7D3,8D3