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

Properties Image MNX_ID MNXM340518 reference chebi:104527 formula C27H39N5O4 global charge 0 mol weight 497.64 InChIKey FHXMSJACTAYBFY-ZYLNGJIFSA-N InChI InChI=1S/C27H39N5O4/c1-6-12-29-27(34)30-21-10-11-24-23(14-21)26(33)31(4)17-25(35-5)19(2)15-32(20(3)18-36-24)16-22-9-7-8-13-28-22/h7-11,13-14,19-20,25H,6,12,15-18H2,1-5H3,(H2,29,30,34)/t19-,20-,25+/m0/s1 SMILES CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](C)N(CC1=CC=CC=N1)C[C@H](C)[C@H](OC)CN(C)C2=O MNX internals InChI (mnx) InChI=1/C27H39N5O4/c1-6-12-29-27(34)30-21-10-11-24-23(14-21)26(33)31(4)17-25(35-5)19(2)15-32(20(3)18-36-24)16-22-9-7-8-13-28-22/h7-11,13-14,19-20,25H,6,12,15-18H2,1-5H3,(H2,29,30,34)/t19-,20-,25+/m0/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:12][N:29]=[C:27]([NH:30][C:21]1=[CH:14][C:23]2=[C:24]([CH:11]=[CH:10]1)[O:36][CH2:18][C@H:20]([CH3:3])[N:32]([CH2:16][C:22]1=[CH:9][CH:7]=[CH:8][CH:13]=[N:28]1)[CH2:15][C@H:19]([CH3:2])[C@H:25]([O:35][CH3:5])[CH2:17][N:31]([CH3:4])[C:26]2=[O:33])[OH:34]

Parent-child relations graph

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