Dutogliptin (USAN)

Properties Image MNX_ID MNXM51693 reference keggD:D09333 formula C10H20BN3O3 global charge 0 mol weight 241.1 InChIKey DVJAMEIQRSHVKC-BDAKNGLRSA-N InChI InChI=1S/C10H20BN3O3/c15-10(7-13-8-3-4-12-6-8)14-5-1-2-9(14)11(16)17/h8-9,12-13,16-17H,1-7H2/t8-,9+/m1/s1 SMILES O=C(CN[C@@H]1CCNC1)N1CCC[C@H]1B(O)O MNX internals InChI (mnx) InChI=1/C10H20BN3O3/c15-10(7-13-8-3-4-12-6-8)14-5-1-2-9(14)11(16)17/h8-9,12-13,16-17H,1-7H2/t8-,9+/m1/s1 SMILES (mnx) [CH2:1]1[CH2:2][C@@H:9]([B:11]([OH:16])[OH:17])[N:14]([C:10]([CH2:7][NH:13][C@@H:8]2[CH2:3][CH2:4][NH:12][CH2:6]2)=[O:15])[CH2:5]1

Parent-child relations graph

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