3-[13,17-bis(2-carboxyethyl)-7-ethenyl-3,8,12,18-tetramethyl-1,5,6,10,14,15,20,24-octahydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[13,17-bis(2-carboxyethyl)-7-ethenyl-3,8,12,18-tetramethyl-1,5,6,10,14,15,20,24-octahydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[13,17-bis(2-carboxyethyl)-3,8,12,18-tetramethyl-7-vinyl-1,5,6,10,14,15,20,24-octahydroporphyrin-2-yl]propanoic acid CAS Name: 3-[13,17-bis(2-carboxyethyl)-7-ethenyl-3,8,12,18-tetramethyl-1,5,6,10,14,15,20,24-octahydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[13,17-bis(2-carboxyethyl)-7-ethenyl-3,8,12,18-tetramethyl-1,5,6,10,14,15,20,24-octahydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[13,17-bis(2-carboxyethyl)-3,8,12,18-tetramethyl-7-vinyl-1,5,6,10,14,15,20,24-octahydroporphin-2-yl]propionic acid Formula: C35H42N4O6 MolecularWeight: 614.73118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC3C(=C(C(=N3)CC4C(=C(C(=N4)CC5=NC(CC(=C1CCC(=O)O)N2)C(=C5C)CCC(=O)O)C)C=C)C)CCC(=O)O

Isomeric SMILES

CC1=C2CC3C(=C(C(=N3)CC4C(=C(C(=N4)CC5=NC(CC(=C1CCC(=O)O)N2)C(=C5C)CCC(=O)O)C)C=C)C)CCC(=O)O

InChI

InChI=1S/C35H42N4O6/c1-6-21-17(2)25-13-26-18(3)23(8-11-34(42)43)31(37-26)16-32-24(9-12-35(44)45)20(5)28(39-32)15-30-22(7-10-33(40)41)19(4)27(38-30)14-29(21)36-25/h6,29-31,39H,1,7-16H2,2-5H3,(H,40,41)(H,42,43)(H,44,45)