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

Properties Image MNX_ID MNXM340468 reference chebi:104440 formula C27H39N5O4 global charge 0 mol weight 497.64 InChIKey DCHCVUMEJAAHBI-OHUGHZGNSA-N InChI InChI=1S/C27H39N5O4/c1-6-11-29-27(34)30-22-7-8-24-23(14-22)26(33)31(4)17-25(35-5)19(2)15-32(20(3)18-36-24)16-21-9-12-28-13-10-21/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25-/m1/s1 SMILES CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](C)N(CC1=CC=NC=C1)C[C@@H](C)[C@H](OC)CN(C)C2=O MNX internals InChI (mnx) InChI=1/C27H39N5O4/c1-6-11-29-27(34)30-22-7-8-24-23(14-22)26(33)31(4)17-25(35-5)19(2)15-32(20(3)18-36-24)16-21-9-12-28-13-10-21/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:11][N:29]=[C:27]([NH:30][C:22]1=[CH:14][C:23]2=[C:24]([CH:8]=[CH:7]1)[O:36][CH2:18][C@H:20]([CH3:3])[N:32]([CH2:16][C:21]1=[CH:10][CH:13]=[N:28][CH:12]=[CH:9]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