3-[18-(2-carboxyethyl)-13-ethenyl-3,7,12,17-tetramethyl-8-[(4E,8E)-5,9,13-trimethyl-1-oxidanyl-tetradeca-4,8,12-trienyl]-22,23-dihydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[18-(2-carboxyethyl)-13-ethenyl-3,7,12,17-tetramethyl-8-[(4E,8E)-5,9,13-trimethyl-1-oxidanyl-tetradeca-4,8,12-trienyl]-22,23-dihydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[18-(2-carboxyethyl)-8-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-tetradeca-4,8,12-trienyl]-3,7,12,17-tetramethyl-13-vinyl-22,23-dihydroporphyrin-2-yl]propanoic acid CAS Name: 3-[18-(2-carboxyethyl)-13-ethenyl-8-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[18-(2-carboxyethyl)-13-ethenyl-8-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[18-(2-carboxyethyl)-8-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-tetradeca-4,8,12-trienyl]-3,7,12,17-tetramethyl-13-vinyl-22,23-dihydroporphin-2-yl]propionic acid Formula: C49H60N4O5 MolecularWeight: 785.0245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H60N4O5/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40/h10,14,16,18,24-27,46,50,53-54H,1,11-13,15,17,19-23H2,2-9H3,(H,55,56)(H,57,58)/b29-16+,30-18+,38-24?,39-25?,40-26?,41-24?,42-25?,43-27?,44-27?,45-26?