3-[18-(2-carboxyethyl)-13-ethenyl-3,7,12,17-tetramethyl-8-(5,9,13-trimethyl-1-oxidanyl-tetradeca-4,8,12-trienyl)-1,2,3,6,7,8,9,12,17,18,21,22,23,24-tetradecahydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[18-(2-carboxyethyl)-13-ethenyl-3,7,12,17-tetramethyl-8-(5,9,13-trimethyl-1-oxidanyl-tetradeca-4,8,12-trienyl)-1,2,3,6,7,8,9,12,17,18,21,22,23,24-tetradecahydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[18-(2-carboxyethyl)-8-(1-hydroxy-5,9,13-trimethyl-tetradeca-4,8,12-trienyl)-3,7,12,17-tetramethyl-13-vinyl-1,2,3,6,7,8,9,12,17,18,21,22,23,24-tetradecahydroporphyrin-2-yl]propanoic acid CAS Name: 3-[18-(2-carboxyethyl)-13-ethenyl-8-(1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl)-3,7,12,17-tetramethyl-1,2,3,6,7,8,9,12,17,18,21,22,23,24-tetradecahydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[18-(2-carboxyethyl)-13-ethenyl-8-(1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl)-3,7,12,17-tetramethyl-1,2,3,6,7,8,9,12,17,18,21,22,23,24-tetradecahydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[18-(2-carboxyethyl)-8-(1-hydroxy-5,9,13-trimethyl-tetradeca-4,8,12-trienyl)-3,7,12,17-tetramethyl-13-vinyl-1,2,3,6,7,8,9,12,17,18,21,22,23,24-tetradecahydroporphin-2-yl]propionic acid Formula: C49H72N4O5 MolecularWeight: 797.11978

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C=C3C(C(C(N3)C=C4C(C(C(=CC5=C(C(C(=CC(C1C(CCC=C(C)CCC=C(C)CCC=C(C)C)O)N2)N5)C)C=C)N4)C)CCC(=O)O)CCC(=O)O)C

Isomeric SMILES

CC1C2C=C3C(C(C(N3)C=C4C(C(C(=CC5=C(C(C(=CC(C1C(CCC=C(C)CCC=C(C)CCC=C(C)C)O)N2)N5)C)C=C)N4)C)CCC(=O)O)CCC(=O)O)C

InChI

InChI=1S/C49H72N4O5/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/h10,14,16,18,24-27,31-34,36-37,41,43,45-46,49-54H,1,11-13,15,17,19-23H2,2-9H3,(H,55,56)(H,57,58)