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

Properties Image MNX_ID MNXM340413 reference chebi:111990 formula C24H40N4O4 global charge 0 mol weight 448.608 InChIKey RPQYAYCERJLDHX-NJNPRVFISA-N InChI InChI=1S/C24H40N4O4/c1-7-11-25-24(30)26-19-9-10-21-20(13-19)23(29)27(5)15-22(31-6)17(3)14-28(12-8-2)18(4)16-32-21/h9-10,13,17-18,22H,7-8,11-12,14-16H2,1-6H3,(H2,25,26,30)/t17-,18+,22+/m0/s1 SMILES CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](C)N(CCC)C[C@H](C)[C@H](OC)CN(C)C2=O MNX internals InChI (mnx) InChI=1/C24H40N4O4/c1-7-11-25-24(30)26-19-9-10-21-20(13-19)23(29)27(5)15-22(31-6)17(3)14-28(12-8-2)18(4)16-32-21/h9-10,13,17-18,22H,7-8,11-12,14-16H2,1-6H3,(H2,25,26,30)/t17-,18+,22+/m0/s1 SMILES (mnx) [CH3:1][CH2:7][CH2:11][N:25]=[C:24]([NH:26][C:19]1=[CH:13][C:20]2=[C:21]([CH:10]=[CH:9]1)[O:32][CH2:16][C@@H:18]([CH3:4])[N:28]([CH2:12][CH2:8][CH3:2])[CH2:14][C@H:17]([CH3:3])[C@H:22]([O:31][CH3:6])[CH2:15][N:27]([CH3:5])[C:23]2=[O:29])[OH:30]

Parent-child relations graph

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