(2R,2(1)S)-2(1),2(2)-dicarboxy-8-ethenyl-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13,17-dipropanoic acid

Properties Image MNX_ID MNXM30841 reference chebi:60780 formula C38H36N4O8 global charge 0 mol weight 676.726 InChIKey DOYFLSPMQPPZHQ-SMIRBHDGSA-N InChI InChI=1S/C38H36N4O8/c1-6-20-17(2)26-14-31-24-10-7-23(36(47)48)35(37(49)50)38(24,5)32(42-31)16-27-19(4)22(9-12-34(45)46)30(41-27)15-29-21(8-11-33(43)44)18(3)25(40-29)13-28(20)39-26/h6-7,10,13-16,35,40,42H,1,8-9,11-12H2,2-5H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)/b28-13-,30-15-,31-14-,32-16-/t35-,38+/m0/s1 SMILES C=CC1=C(C)C2=N/C1=C\C1=C(C)C(CCC(=O)O)=C(/C=C3\N=C(/C=C4\N\C(=C/2)C2=CC=C(C(=O)O)[C@@H](C(=O)O)[C@]24C)C(C)=C3CCC(=O)O)N1 MNX internals InChI (mnx) InChI=1/C38H36N4O8/c1-6-20-17(2)26-14-31-24-10-7-23(36(47)48)35(37(49)50)38(24,5)32(42-31)16-27-19(4)22(9-12-34(45)46)30(41-27)15-29-21(8-11-33(43)44)18(3)25(40-29)13-28(20)39-26/h6-7,10,13-16,35,40,42H,1,8-9,11-12H2,2-5H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)/b28-13-,30-15-,31-14-,32-16-/t35-,38+/m0/s1 SMILES (mnx) [CH2:1]=[CH:6][C:20]1=[C:17]([CH3:2])[C:26]2=[N:39]/[C:28]1=[CH:13]\[C:25]1=[C:18]([CH3:3])[C:21]([CH2:8][CH2:11][C:33](=[O:43])[OH:44])=[C:29](/[CH:15]=[C:30]3/[C:22]([CH2:9][CH2:12][C:34](=[O:45])[OH:46])=[C:19]([CH3:4])[C:27](=[N:41]3)/[CH:16]=[C:32]3/[C@@:38]4([CH3:5])[C:24](=[CH:10][CH:7]=[C:23]([C:36]([OH:47])=[O:48])[C@H:35]4[C:37](=[O:49])[OH:50])/[C:31](=[CH:14]/2)[NH:42]3)[NH:40]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0