Docarpamine

Properties Image MNX_ID MNXM51425 reference chebi:31513 formula C21H30N2O8S global charge 0 mol weight 470.544 InChIKey ZLVMAMIPILWYHQ-INIZCTEOSA-N InChI InChI=1S/C21H30N2O8S/c1-5-28-20(26)30-17-8-7-15(13-18(17)31-21(27)29-6-2)9-11-22-19(25)16(10-12-32-4)23-14(3)24/h7-8,13,16H,5-6,9-12H2,1-4H3,(H,22,25)(H,23,24)/t16-/m0/s1 SMILES CCOC(=O)OC1=C(OC(=O)OCC)C=C(CCNC(=O)[C@H](CCSC)NC(C)=O)C=C1 MNX internals InChI (mnx) InChI=1/C21H30N2O8S/c1-5-28-20(26)30-17-8-7-15(13-18(17)31-21(27)29-6-2)9-11-22-19(25)16(10-12-32-4)23-14(3)24/h7-8,13,16H,5-6,9-12H2,1-4H3,(H,22,25)(H,23,24)/t16-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][O:28][C:20](=[O:26])[O:30][C:17]1=[C:18]([O:31][C:21](=[O:27])[O:29][CH2:6][CH3:2])[CH:13]=[C:15]([CH2:9][CH2:11][N:22]=[C:19]([C@H:16]([CH2:10][CH2:12][S:32][CH3:4])[N:23]=[C:14]([CH3:3])[OH:24])[OH:25])[CH:7]=[CH:8]1

Parent-child relations graph

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