3-[18-(2-carboxyethyl)-13-ethyl-3,7,12,17-tetramethyl-8-(thiiran-2-yl)-22,23-dihydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[18-(2-carboxyethyl)-13-ethyl-3,7,12,17-tetramethyl-8-(thiiran-2-yl)-22,23-dihydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[18-(2-carboxyethyl)-13-ethyl-3,7,12,17-tetramethyl-8-(thiiran-2-yl)-22,23-dihydroporphyrin-2-yl]propanoic acid CAS Name: 3-[18-(2-carboxyethyl)-13-ethyl-3,7,12,17-tetramethyl-8-(2-thiiranyl)-22,23-dihydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[18-(2-carboxyethyl)-13-ethyl-3,7,12,17-tetramethyl-8-(thiiran-2-yl)-22,23-dihydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[18-(2-carboxyethyl)-13-ethyl-3,7,12,17-tetramethyl-8-(thiiran-2-yl)-22,23-dihydroporphin-2-yl]propionic acid Formula: C34H36N4O4S MolecularWeight: 596.73904

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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)C6CS6)C)C)CCC(=O)O)CCC(=O)O)C

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=CC(=C1C)N2)N5)C6CS6)C)C)CCC(=O)O)CCC(=O)O)C

InChI

InChI=1S/C34H36N4O4S/c1-6-20-16(2)25-13-30-34(31-15-43-31)19(5)26(38-30)11-23-17(3)21(7-9-32(39)40)28(36-23)14-29-22(8-10-33(41)42)18(4)24(37-29)12-27(20)35-25/h11-14,31,35,38H,6-10,15H2,1-5H3,(H,39,40)(H,41,42)