1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea

Properties Image MNX_ID MNXM339661 reference chebi:124712 formula C31H39N5O7 global charge 0 mol weight 593.681 InChIKey RHYKARALQRKCRK-RXEHIIAQSA-N InChI InChI=1S/C31H39N5O7/c1-18-13-36(19(2)16-37)29(38)12-23-11-24(32-31(39)33-30-20(3)34-43-21(30)4)7-9-25(23)42-28(18)15-35(5)14-22-6-8-26-27(10-22)41-17-40-26/h6-11,18-19,28,37H,12-17H2,1-5H3,(H2,32,33,39)/t18-,19-,28+/m0/s1 SMILES CC1=NOC(C)=C1NC(=O)NC1=CC2=C(C=C1)O[C@H](CN(C)CC1=CC3=C(C=C1)OCO3)[C@@H](C)CN([C@@H](C)CO)C(=O)C2 MNX internals InChI (mnx) InChI=1/C31H39N5O7/c1-18-13-36(19(2)16-37)29(38)12-23-11-24(32-31(39)33-30-20(3)34-43-21(30)4)7-9-25(23)42-28(18)15-35(5)14-22-6-8-26-27(10-22)41-17-40-26/h6-11,18-19,28,37H,12-17H2,1-5H3,(H2,32,33,39)/t18-,19-,28+/m0/s1 SMILES (mnx) [CH3:1][C@H:18]1[CH2:13][N:36]([C@@H:19]([CH3:2])[CH2:16][OH:37])[C:29](=[O:38])[CH2:12][C:23]2=[C:25]([CH:9]=[CH:7][C:24]([NH:32][C:31](=[N:33][C:30]3=[C:21]([CH3:4])[O:43][N:34]=[C:20]3[CH3:3])[OH:39])=[CH:11]2)[O:42][C@@H:28]1[CH2:15][N:35]([CH3:5])[CH2:14][C:22]1=[CH:10][C:27]2=[C:26]([CH:8]=[CH:6]1)[O:40][CH2:17][O:41]2

Parent-child relations graph

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