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

Properties Image MNX_ID MNXM340638 reference chebi:101745 formula C27H39N5O4 global charge 0 mol weight 497.64 InChIKey CHKBOEGZXMMFCS-WZOHSFFVSA-N InChI InChI=1S/C27H39N5O4/c1-6-11-29-27(34)30-22-9-10-23-24(13-22)36-18-20(3)32(16-21-8-7-12-28-14-21)15-19(2)25(35-5)17-31(4)26(23)33/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25+/m0/s1 SMILES CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1=CN=CC=C1)[C@H](C)CO2 MNX internals InChI (mnx) InChI=1/C27H39N5O4/c1-6-11-29-27(34)30-22-9-10-23-24(13-22)36-18-20(3)32(16-21-8-7-12-28-14-21)15-19(2)25(35-5)17-31(4)26(23)33/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25+/m0/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:11][N:29]=[C:27]([NH:30][C:22]1=[CH:13][C:24]2=[C:23]([CH:10]=[CH:9]1)[C:26](=[O:33])[N:31]([CH3:4])[CH2:17][C@@H:25]([O:35][CH3:5])[C@@H:19]([CH3:2])[CH2:15][N:32]([CH2:16][C:21]1=[CH:14][N:28]=[CH:12][CH:7]=[CH:8]1)[C@H:20]([CH3:3])[CH2:18][O:36]2)[OH:34]

Parent-child relations graph

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