1-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea

Properties Image MNX_ID MNXM339052 reference chebi:123903 formula C29H35Cl2N5O5 global charge 0 mol weight 604.535 InChIKey WFBFGDCPYFNMAV-VDYXTEHCSA-N InChI InChI=1S/C29H35Cl2N5O5/c1-16-12-36(17(2)15-37)28(38)22-11-21(32-29(39)33-27-18(3)34-41-19(27)4)7-9-25(22)40-26(16)14-35(5)13-20-6-8-23(30)24(31)10-20/h6-11,16-17,26,37H,12-15H2,1-5H3,(H2,32,33,39)/t16-,17-,26+/m1/s1 SMILES CC1=NOC(C)=C1NC(=O)NC1=CC2=C(C=C1)O[C@@H](CN(C)CC1=CC(Cl)=C(Cl)C=C1)[C@H](C)CN([C@H](C)CO)C2=O MNX internals InChI (mnx) InChI=1/C29H35Cl2N5O5/c1-16-12-36(17(2)15-37)28(38)22-11-21(32-29(39)33-27-18(3)34-41-19(27)4)7-9-25(22)40-26(16)14-35(5)13-20-6-8-23(30)24(31)10-20/h6-11,16-17,26,37H,12-15H2,1-5H3,(H2,32,33,39)/t16-,17-,26+/m1/s1 SMILES (mnx) [CH3:1][C@@H:16]1[CH2:12][N:36]([C@H:17]([CH3:2])[CH2:15][OH:37])[C:28](=[O:38])[C:22]2=[C:25]([CH:9]=[CH:7][C:21]([N:32]=[C:29]([NH:33][C:27]3=[C:19]([CH3:4])[O:41][N:34]=[C:18]3[CH3:3])[OH:39])=[CH:11]2)[O:40][C@H:26]1[CH2:14][N:35]([CH3:5])[CH2:13][C:20]1=[CH:10][C:24]([Cl:31])=[C:23]([Cl:30])[CH:8]=[CH:6]1

Parent-child relations graph

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