3-[18-(2-carboxyethyl)-8-ethenyl-13-ethyl-7,17-bis(hydroxymethyl)-3,12-dimethyl-22,23-dihydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[18-(2-carboxyethyl)-8-ethenyl-13-ethyl-7,17-bis(hydroxymethyl)-3,12-dimethyl-22,23-dihydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[18-(2-carboxyethyl)-13-ethyl-7,17-bis(hydroxymethyl)-3,12-dimethyl-8-vinyl-22,23-dihydroporphyrin-2-yl]propanoic acid CAS Name: 3-[18-(2-carboxyethyl)-8-ethenyl-13-ethyl-7,17-bis(hydroxymethyl)-3,12-dimethyl-22,23-dihydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[18-(2-carboxyethyl)-8-ethenyl-13-ethyl-7,17-bis(hydroxymethyl)-3,12-dimethyl-22,23-dihydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[18-(2-carboxyethyl)-13-ethyl-3,12-dimethyl-7,17-dimethylol-8-vinyl-22,23-dihydroporphin-2-yl]propionic acid Formula: C34H36N4O6 MolecularWeight: 596.67284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=CC(=C1C)N2)N5)C=C)CO)C)CCC(=O)O)CCC(=O)O)CO

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=CC(=C1C)N2)N5)C=C)CO)C)CCC(=O)O)CCC(=O)O)CO

InChI

InChI=1S/C34H36N4O6/c1-5-19-17(3)25-11-28-20(6-2)23(15-39)31(37-28)12-26-18(4)21(7-9-33(41)42)29(36-26)14-30-22(8-10-34(43)44)24(16-40)32(38-30)13-27(19)35-25/h6,11-14,35,37,39-40H,2,5,7-10,15-16H2,1,3-4H3,(H,41,42)(H,43,44)