1-[[(2R,3R)-8-(1-cyclopentenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3-fluorophenyl)-1-methylurea

Properties Image MNX_ID MNXM341187 reference chebi:131293 formula C27H33FN4O4 global charge 0 mol weight 496.583 InChIKey SHPIGGYHGMASQB-GGUMNFRJSA-N InChI InChI=1S/C27H33FN4O4/c1-17-14-32(18(2)16-33)26(34)23-11-20(19-7-4-5-8-19)13-29-25(23)36-24(17)15-31(3)27(35)30-22-10-6-9-21(28)12-22/h6-7,9-13,17-18,24,33H,4-5,8,14-16H2,1-3H3,(H,30,35)/t17-,18-,24+/m1/s1 SMILES C[C@@H]1CN([C@H](C)CO)C(=O)C2=C(N=CC(C3=CCCC3)=C2)O[C@H]1CN(C)C(=O)NC1=CC(F)=CC=C1 MNX internals InChI (mnx) InChI=1/C27H33FN4O4/c1-17-14-32(18(2)16-33)26(34)23-11-20(19-7-4-5-8-19)13-29-25(23)36-24(17)15-31(3)27(35)30-22-10-6-9-21(28)12-22/h6-7,9-13,17-18,24,33H,4-5,8,14-16H2,1-3H3,(H,30,35)/t17-,18-,24+/m1/s1 SMILES (mnx) [CH3:1][C@@H:17]1[CH2:14][N:32]([C@H:18]([CH3:2])[CH2:16][OH:33])[C:26](=[O:34])[C:23]2=[C:25]([N:29]=[CH:13][C:20]([C:19]3=[CH:7][CH2:4][CH2:5][CH2:8]3)=[CH:11]2)[O:36][C@H:24]1[CH2:15][N:31]([CH3:3])[C:27](=[N:30][C:22]1=[CH:10][CH:6]=[CH:9][C:21]([F:28])=[CH:12]1)[OH:35]

Parent-child relations graph

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