1-[(4S,7R,8S)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea

Properties Image MNX_ID MNXM340448 reference chebi:98747 formula C28H37FN4O5 global charge 0 mol weight 528.625 InChIKey IESMZGXEKVWDTA-HHJKRLRDSA-N InChI InChI=1S/C28H37FN4O5/c1-6-13-30-28(36)31-20-11-12-24-22(14-20)26(34)32(4)16-25(37-5)18(2)15-33(19(3)17-38-24)27(35)21-9-7-8-10-23(21)29/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H2,30,31,36)/t18-,19+,25-/m1/s1 SMILES CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](C)N(C(=O)C1=CC=CC=C1F)C[C@@H](C)[C@H](OC)CN(C)C2=O MNX internals InChI (mnx) InChI=1/C28H37FN4O5/c1-6-13-30-28(36)31-20-11-12-24-22(14-20)26(34)32(4)16-25(37-5)18(2)15-33(19(3)17-38-24)27(35)21-9-7-8-10-23(21)29/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H2,30,31,36)/t18-,19+,25-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:13][N:30]=[C:28]([NH:31][C:20]1=[CH:14][C:22]2=[C:24]([CH:12]=[CH:11]1)[O:38][CH2:17][C@H:19]([CH3:3])[N:33]([C:27]([C:21]1=[CH:9][CH:7]=[CH:8][CH:10]=[C:23]1[F:29])=[O:35])[CH2:15][C@@H:18]([CH3:2])[C@H:25]([O:37][CH3:5])[CH2:16][N:32]([CH3:4])[C:26]2=[O:34])[OH:36]

Parent-child relations graph

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