compound 0067369

Properties Image MNX_ID MNXM1177914 reference envipathM:...201425b9a7fb formula C17H19N3O4S global charge 0 mol weight 361.423 InChIKey DKQSIXNHEYMMKJ-LFUZPPSTSA-N InChI InChI=1S/C17H19N3O4S/c1-17(18-16(23)25(2)24,13-10-6-7-11-14(13)21)15(22)20-19-12-8-4-3-5-9-12/h3-11,19,21H,1-2H3,(H,18,23)(H,20,22)/t17-,25?/m0/s1 SMILES CS(=O)C(=O)N[C@](C)(C(=O)NNC1=CC=CC=C1)C1=C(O)C=CC=C1 MNX internals InChI (mnx) InChI=1/C17H19N3O4S/c1-17(18-16(23)25(2)24,13-10-6-7-11-14(13)21)15(22)20-19-12-8-4-3-5-9-12/h3-11,19,21H,1-2H3,(H,18,23)(H,20,22)/t17-,25?/m0/s1 SMILES (mnx) [CH3:1][C@:17]([C:13]1=[CH:10][CH:6]=[CH:7][CH:11]=[C:14]1[OH:21])([C:15](=[N:20][NH:19][C:12]1=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]1)[OH:22])[N:18]=[C:16]([OH:23])[S:25]([CH3:2])=[O:24]

Parent-child relations graph

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