(2S,3S,4S,5R)-6-(2-{[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin-2-ylidene]amino}propoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Properties Image MNX_ID MNXM154854 reference chebi:184833 formula C33H30Cl2N4O7 global charge 0 mol weight 665.53 InChIKey YJJBZADWPTXVOZ-DDXRKAPGSA-N InChI InChI=1S/C33H30Cl2N4O7/c1-17(16-45-33-30(42)28(40)29(41)31(46-33)32(43)44)36-24-15-27-25(14-23(24)37-20-10-6-18(34)7-11-20)38-22-4-2-3-5-26(22)39(27)21-12-8-19(35)9-13-21/h2-15,17,28-31,33,37,40-42H,16H2,1H3,(H,43,44)/b36-24+/t17?,28-,29-,30+,31-,33?/m0/s1 SMILES CC(COC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)/N=C1\C=C2C(=NC3=C(C=CC=C3)N2C2=CC=C(Cl)C=C2)C=C1NC1=CC=C(Cl)C=C1 MNX internals InChI (mnx) InChI=1/C33H30Cl2N4O7/c1-17(16-45-33-30(42)28(40)29(41)31(46-33)32(43)44)36-24-15-27-25(14-23(24)37-20-10-6-18(34)7-11-20)38-22-4-2-3-5-26(22)39(27)21-12-8-19(35)9-13-21/h2-15,17,28-31,33,37,40-42H,16H2,1H3,(H,43,44)/b36-24+/t17?,28-,29-,30+,31-,33?/m0/s1 SMILES (mnx) [CH3:1][CH:17]([CH2:16][O:45][CH:33]1[C@H:30]([OH:42])[C@@H:28]([OH:40])[C@H:29]([OH:41])[C@@H:31]([C:32](=[O:43])[OH:44])[O:46]1)/[N:36]=[C:24]1\[CH:15]=[C:27]2[C:25](=[N:38][C:22]3=[CH:4][CH:2]=[CH:3][CH:5]=[C:26]3[N:39]2[C:21]2=[CH:13][CH:9]=[C:19]([Cl:35])[CH:8]=[CH:12]2)[CH:14]=[C:23]1[NH:37][C:20]1=[CH:11][CH:7]=[C:18]([Cl:34])[CH:6]=[CH:10]1

Parent-child relations graph

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