(3R,6aR,8S,10aR)-3-hydroxy-8-[2-[2-(1-methyl-4-imidazolyl)ethylamino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

Properties Image MNX_ID MNXM172073 reference chebi:102761 formula C25H32F3N5O5 global charge 0 mol weight 539.555 InChIKey TWGHTEGHSVIJBR-MBDNFAEBSA-N InChI InChI=1S/C25H32F3N5O5/c1-32-11-18(30-15-32)8-9-29-23(35)10-20-6-7-21-22(38-20)14-37-13-19(34)12-33(21)24(36)31-17-4-2-16(3-5-17)25(26,27)28/h2-5,11,15,19-22,34H,6-10,12-14H2,1H3,(H,29,35)(H,31,36)/t19-,20+,21-,22+/m1/s1 SMILES CN1C=NC(CCNC(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@H](O)CN3C(=O)NC3=CC=C(C(F)(F)F)C=C3)O2)=C1 MNX internals InChI (mnx) InChI=1/C25H32F3N5O5/c1-32-11-18(30-15-32)8-9-29-23(35)10-20-6-7-21-22(38-20)14-37-13-19(34)12-33(21)24(36)31-17-4-2-16(3-5-17)25(26,27)28/h2-5,11,15,19-22,34H,6-10,12-14H2,1H3,(H,29,35)(H,31,36)/t19-,20+,21-,22+/m1/s1 SMILES (mnx) [CH3:1][N:32]1[CH:11]=[C:18]([CH2:8][CH2:9][N:29]=[C:23]([CH2:10][C@@H:20]2[CH2:6][CH2:7][C@@H:21]3[C@H:22]([CH2:14][O:37][CH2:13][C@H:19]([OH:34])[CH2:12][N:33]3[C:24]([NH:31][C:17]3=[CH:5][CH:3]=[C:16]([C:25]([F:26])([F:27])[F:28])[CH:2]=[CH:4]3)=[O:36])[O:38]2)[OH:35])[N:30]=[CH:15]1

Parent-child relations graph

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