CAS: 65207-12-7 - (12S,13S,17S,18S)-2,8,13,18-Tetrakis(carboxymethyl)-12,13,17,18-tetrahydro-13,18-dimethyl-21H,22H-porphine-3,7,12,17-tetrapropanoic acid

Formula:C₄₂H₄₆N₄O₁₆

InChI:InChI=1S/C42H46N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h13-16,23-24,43-44H,3-12,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b25-13?,26-13-,27-14?,28-15-,29-14-,30-16-,31-15?,32-16?/t23-,24-,41+,42+/m1/s1

InChI key:InChIKey=AVBHZKNQGDKVEA-KTDHJTBQSA-N

SMILES:O=C(O)CC1=C2C=C3N=C(C=C4N=C(C=C5NC(=CC(N2)=C1CCC(=O)O)C(=C5CC(=O)O)CCC(=O)O)C(C)(CC(=O)O)C4CCC(=O)O)C(C)(CC(=O)O)C3CCC(=O)O

Synonyms:
(12S,13S,17S,18S)-2,8,13,18-Tetrakis(carboxymethyl)-12,13,17,18-tetrahydro-13,18-dimethyl-21H,22H-porphine-3,7,12,17-tetrapropanoic acid
Sirohydrochlorin
21H,22H-Porphine-3,7,12,17-tetrapropanoic acid, 2,8,13,18-tetrakis(carboxymethyl)-12,13,17,18-tetrahydro-13,18-dimethyl-, (12S,13S,17S,18S)-