3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8-(1-sulfanylethenyl)-13-[(2R)-thiiran-2-yl]-22,23-dihydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8-(1-sulfanylethenyl)-13-[(2R)-thiiran-2-yl]-22,23-dihydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8-(1-sulfanylvinyl)-13-[(2R)-thiiran-2-yl]-22,23-dihydroporphyrin-2-yl]propanoic acid CAS Name: 3-[18-(2-carboxyethyl)-8-(1-mercaptoethenyl)-3,7,12,17-tetramethyl-13-[(2R)-2-thiiranyl]-22,23-dihydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8-(1-sulfanylethenyl)-13-[(2R)-thiiran-2-yl]-22,23-dihydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[18-(2-carboxyethyl)-8-(1-mercaptovinyl)-3,7,12,17-tetramethyl-13-[(2R)-thiiran-2-yl]-22,23-dihydroporphin-2-yl]propionic acid Formula: C34H34N4O4S2 MolecularWeight: 626.78816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C6CS6)C)C(=C)S

Isomeric SMILES

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)[C@@H]6CS6)C)C(=C)S

InChI

InChI=1S/C34H34N4O4S2/c1-15-20(6-8-31(39)40)26-13-27-21(7-9-32(41)42)16(2)23(36-27)11-29-34(30-14-44-30)18(4)25(38-29)12-28-33(19(5)43)17(3)24(37-28)10-22(15)35-26/h10-13,30,37-38,43H,5-9,14H2,1-4H3,(H,39,40)(H,41,42)/t30-/m0/s1