(3R,4S)-BW 245C

Properties Image MNX_ID MNXM172048 reference chebi:131500 formula C19H32N2O5 global charge 0 mol weight 368.474 InChIKey ZIDQIOZJEJFMOH-JKSUJKDBSA-N InChI InChI=1S/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14-16,22H,1-13H2,(H,23,24)(H,20,25,26)/t15-,16+/m0/s1 SMILES O=C(O)CCCCCC[C@H]1C(=O)NC(=O)N1CC[C@@H](O)C1CCCCC1 MNX internals InChI (mnx) InChI=1/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14-16,22H,1-13H2,(H,23,24)(H,20,25,26)/t15-,16+/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][CH2:7][CH2:11][C:17](=[O:23])[OH:24])[CH2:6][CH2:10][C@H:15]1[C:18]([OH:25])=[N:20][C:19](=[O:26])[N:21]1[CH2:13][CH2:12][C@H:16]([CH:14]1[CH2:8][CH2:4][CH2:3][CH2:5][CH2:9]1)[OH:22]

Parent-child relations graph

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