3-[(9Z,15Z,19Z)-18-(2-carboxyethyl)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-5,6,21,22,23,24-hexahydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[(9Z,15Z,19Z)-18-(2-carboxyethyl)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-5,6,21,22,23,24-hexahydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[(9Z,15Z,19Z)-18-(2-carboxyethyl)-13-ethyl-3,7,12,17-tetramethyl-8-vinyl-5,6,21,22,23,24-hexahydroporphyrin-2-yl]propanoic acid CAS Name: 3-[(9Z,15Z,19Z)-18-(2-carboxyethyl)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-5,6,21,22,23,24-hexahydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[(9Z,15Z,19Z)-18-(2-carboxyethyl)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-5,6,21,22,23,24-hexahydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[(9Z,15Z,19Z)-18-(2-carboxyethyl)-13-ethyl-3,7,12,17-tetramethyl-8-vinyl-5,6,21,22,23,24-hexahydroporphin-2-yl]propionic acid Formula: C34H40N4O4 MolecularWeight: 568.7058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=CC4=C(C(=C(N4)CC5C(=C(C(=CC(=C1C)N2)N5)C=C)C)C)CCC(=O)O)N3)CCC(=O)O)C

Isomeric SMILES

CCC1=C2/C=C\3/C(=C(/C(=C/C4=C(C(=C(N4)CC5C(=C(/C(=C/C(=C1C)N2)/N5)C=C)C)C)CCC(=O)O)/N3)CCC(=O)O)C

InChI

InChI=1S/C34H40N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7,14-16,25,35-38H,1,8-13H2,2-6H3,(H,39,40)(H,41,42)/b28-15-,29-14-,32-16-