1-[(5S,6R,9S)-8-(cyclopentylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea

Properties Image MNX_ID MNXM340626 reference chebi:112054 formula C27H44N4O4 global charge 0 mol weight 488.673 InChIKey MRCAHRJZOZLPQK-OHUGHZGNSA-N InChI InChI=1S/C27H44N4O4/c1-6-13-28-27(33)29-22-11-12-23-24(14-22)35-18-20(3)31(16-21-9-7-8-10-21)15-19(2)25(34-5)17-30(4)26(23)32/h11-12,14,19-21,25H,6-10,13,15-18H2,1-5H3,(H2,28,29,33)/t19-,20+,25-/m1/s1 SMILES CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC1CCCC1)[C@@H](C)CO2 MNX internals InChI (mnx) InChI=1/C27H44N4O4/c1-6-13-28-27(33)29-22-11-12-23-24(14-22)35-18-20(3)31(16-21-9-7-8-10-21)15-19(2)25(34-5)17-30(4)26(23)32/h11-12,14,19-21,25H,6-10,13,15-18H2,1-5H3,(H2,28,29,33)/t19-,20+,25-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:13][N:28]=[C:27]([NH:29][C:22]1=[CH:14][C:24]2=[C:23]([CH:12]=[CH:11]1)[C:26](=[O:32])[N:30]([CH3:4])[CH2:17][C@@H:25]([O:34][CH3:5])[C@H:19]([CH3:2])[CH2:15][N:31]([CH2:16][CH:21]1[CH2:9][CH2:7][CH2:8][CH2:10]1)[C@@H:20]([CH3:3])[CH2:18][O:35]2)[OH:33]

Parent-child relations graph

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