1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

Properties Image MNX_ID MNXM341269 reference chebi:127596 formula C29H36N4O6S global charge 0 mol weight 568.696 InChIKey PFQWGWQENUDDJX-VKIDHGPPSA-N InChI InChI=1S/C29H36N4O6S/c1-19-16-33(20(2)18-34)28(35)15-22-14-23(31-40(4,37)38)12-13-26(22)39-27(19)17-32(3)29(36)30-25-11-7-9-21-8-5-6-10-24(21)25/h5-14,19-20,27,31,34H,15-18H2,1-4H3,(H,30,36)/t19-,20+,27-/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)NC2=CC=CC3=CC=CC=C32)OC2=C(C=C(NS(C)(=O)=O)C=C2)CC1=O MNX internals InChI (mnx) InChI=1/C29H36N4O6S/c1-19-16-33(20(2)18-34)28(35)15-22-14-23(31-40(4,37)38)12-13-26(22)39-27(19)17-32(3)29(36)30-25-11-7-9-21-8-5-6-10-24(21)25/h5-14,19-20,27,31,34H,15-18H2,1-4H3,(H,30,36)/t19-,20+,27-/m0/s1 SMILES (mnx) [CH3:1][C@H:19]1[CH2:16][N:33]([C@H:20]([CH3:2])[CH2:18][OH:34])[C:28](=[O:35])[CH2:15][C:22]2=[C:26]([CH:13]=[CH:12][C:23]([NH:31][S:40]([CH3:4])(=[O:37])=[O:38])=[CH:14]2)[O:39][C@H:27]1[CH2:17][N:32]([CH3:3])[C:29](=[N:30][C:25]1=[CH:11][CH:7]=[CH:9][C:21]2=[CH:8][CH:5]=[CH:6][CH:10]=[C:24]21)[OH:36]

Parent-child relations graph

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