(2S,2(1)R)-8-ethenyl-2(1),2(2)-bis(methoxycarbonyl)-13-(3-methoxy-3-oxopropyl)-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-17-propanoic acid

Properties Image MNX_ID MNXM30950 reference chebi:60779 formula C41H42N4O8 global charge 0 mol weight 718.807 InChIKey MNCZEEFHIBYYSK-SFOJKEPJSA-N InChI InChI=1S/C41H42N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)24(11-14-36(46)47)32(44-30)18-33-25(12-15-37(48)51-6)21(3)28(43-33)16-31(23)42-29/h9-10,13,16-19,38,43,45H,1,11-12,14-15H2,2-8H3,(H,46,47)/b31-16-,32-18-,34-17-,35-19-/t38-,41+/m1/s1 SMILES C=CC1=C(C)C2=N/C1=C\C1=C(C)C(CCC(=O)OC)=C(/C=C3\N=C(/C=C4\N\C(=C/2)C2=CC=C(C(=O)OC)[C@H](C(=O)OC)[C@@]24C)C(C)=C3CCC(=O)O)N1 MNX internals InChI (mnx) InChI=1/C41H42N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)24(11-14-36(46)47)32(44-30)18-33-25(12-15-37(48)51-6)21(3)28(43-33)16-31(23)42-29/h9-10,13,16-19,38,43,45H,1,11-12,14-15H2,2-8H3,(H,46,47)/b31-16-,32-18-,34-17-,35-19-/t38-,41+/m1/s1 SMILES (mnx) [CH2:1]=[CH:9][C:23]1=[C:20]([CH3:2])[C:29]2=[N:42]/[C:31]1=[CH:16]\[C:28]1=[C:21]([CH3:3])[C:25]([CH2:12][CH2:15][C:37](=[O:48])[O:51][CH3:6])=[C:33](/[CH:18]=[C:32]3/[C:24]([CH2:11][CH2:14][C:36](=[O:46])[OH:47])=[C:22]([CH3:4])[C:30](=[N:44]3)/[CH:19]=[C:35]3/[C@:41]4([CH3:5])[C:27](=[CH:13][CH:10]=[C:26]([C:39](=[O:49])[O:52][CH3:7])[C@@H:38]4[C:40](=[O:50])[O:53][CH3:8])/[C:34](=[CH:17]/2)[NH:45]3)[NH:43]1

Parent-child relations graph

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