1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

Properties Image MNX_ID MNXM341154 reference chebi:127112 formula C31H39N5O5 global charge 0 mol weight 561.683 InChIKey KYHZFTDIMWCHFE-CJYOKPGZSA-N InChI InChI=1S/C31H39N5O5/c1-19(2)32-30(39)33-23-13-14-27-25(15-23)29(38)36(21(4)18-37)16-20(3)28(41-27)17-35(5)31(40)34-26-12-8-10-22-9-6-7-11-24(22)26/h6-15,19-21,28,37H,16-18H2,1-5H3,(H,34,40)(H2,32,33,39)/t20-,21-,28+/m1/s1 SMILES CC(C)NC(=O)NC1=CC2=C(C=C1)O[C@@H](CN(C)C(=O)NC1=CC=CC3=CC=CC=C31)[C@H](C)CN([C@H](C)CO)C2=O MNX internals InChI (mnx) InChI=1/C31H39N5O5/c1-19(2)32-30(39)33-23-13-14-27-25(15-23)29(38)36(21(4)18-37)16-20(3)28(41-27)17-35(5)31(40)34-26-12-8-10-22-9-6-7-11-24(22)26/h6-15,19-21,28,37H,16-18H2,1-5H3,(H,34,40)(H2,32,33,39)/t20-,21-,28+/m1/s1 SMILES (mnx) [CH3:1][CH:19]([CH3:2])[N:32]=[C:30]([NH:33][C:23]1=[CH:15][C:25]2=[C:27]([CH:14]=[CH:13]1)[O:41][C@@H:28]([CH2:17][N:35]([CH3:5])[C:31](=[N:34][C:26]1=[CH:12][CH:8]=[CH:10][C:22]3=[CH:9][CH:6]=[CH:7][CH:11]=[C:24]31)[OH:40])[C@H:20]([CH3:3])[CH2:16][N:36]([C@H:21]([CH3:4])[CH2:18][OH:37])[C:29]2=[O:38])[OH:39]

Parent-child relations graph

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