3'-Hydroxy Repaglinide(Mixture of Diastereomers)

Properties Image MNX_ID MNXM156657 reference chebi:183883 formula C27H36N2O5 global charge 0 mol weight 468.594 InChIKey OBMAZJVHPAVADF-UHFFFAOYSA-N InChI InChI=1S/C27H36N2O5/c1-4-34-25-15-19(11-12-22(25)27(32)33)16-26(31)28-23(14-18(2)3)21-9-5-6-10-24(21)29-13-7-8-20(30)17-29/h5-6,9-12,15,18,20,23,30H,4,7-8,13-14,16-17H2,1-3H3,(H,28,31)(H,32,33) SMILES CCOC1=C(C(=O)O)C=CC(CC(=O)NC(CC(C)C)C2=CC=CC=C2N2CCCC(O)C2)=C1 MNX internals InChI (mnx) InChI=1/C27H36N2O5/c1-4-34-25-15-19(11-12-22(25)27(32)33)16-26(31)28-23(14-18(2)3)21-9-5-6-10-24(21)29-13-7-8-20(30)17-29/h5-6,9-12,15,18,20,23,30H,4,7-8,13-14,16-17H2,1-3H3,(H,28,31)(H,32,33)/t20?,23? SMILES (mnx) [CH3:1][CH2:4][O:34][C:25]1=[C:22]([C:27](=[O:32])[OH:33])[CH:12]=[CH:11][C:19]([CH2:16][C:26](=[N:28][CH:23]([CH2:14][CH:18]([CH3:2])[CH3:3])[C:21]2=[CH:9][CH:5]=[CH:6][CH:10]=[C:24]2[N:29]2[CH2:13][CH2:7][CH2:8][CH:20]([OH:30])[CH2:17]2)[OH:31])=[CH:15]1

Parent-child relations graph

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