1-[(5R,6R,9S)-8-acetyl-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 MNXM340575 reference chebi:122652 formula C23H36N4O5 global charge 0 mol weight 448.564 InChIKey FGFJNWQPGUBCRY-XFQAVAEZSA-N InChI InChI=1S/C23H36N4O5/c1-7-10-24-23(30)25-18-8-9-19-20(11-18)32-14-16(3)27(17(4)28)12-15(2)21(31-6)13-26(5)22(19)29/h8-9,11,15-16,21H,7,10,12-14H2,1-6H3,(H2,24,25,30)/t15-,16+,21+/m1/s1 SMILES CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(C)=O)[C@@H](C)CO2 MNX internals InChI (mnx) InChI=1/C23H36N4O5/c1-7-10-24-23(30)25-18-8-9-19-20(11-18)32-14-16(3)27(17(4)28)12-15(2)21(31-6)13-26(5)22(19)29/h8-9,11,15-16,21H,7,10,12-14H2,1-6H3,(H2,24,25,30)/t15-,16+,21+/m1/s1 SMILES (mnx) [CH3:1][CH2:7][CH2:10][N:24]=[C:23]([NH:25][C:18]1=[CH:11][C:20]2=[C:19]([CH:9]=[CH:8]1)[C:22](=[O:29])[N:26]([CH3:5])[CH2:13][C@H:21]([O:31][CH3:6])[C@H:15]([CH3:2])[CH2:12][N:27]([C:17]([CH3:4])=[O:28])[C@@H:16]([CH3:3])[CH2:14][O:32]2)[OH:30]

Parent-child relations graph

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