1-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea

Properties Image MNX_ID MNXM339640 reference chebi:124180 formula C29H35Cl2N5O5 global charge 0 mol weight 604.535 InChIKey XZKSGWSUUNDQRD-XOWTYJCDSA-N InChI InChI=1S/C29H35Cl2N5O5/c1-16-12-36(17(2)15-37)28(38)21-7-6-8-24(32-29(39)33-26-18(3)34-41-19(26)4)27(21)40-25(16)14-35(5)13-20-9-10-22(30)23(31)11-20/h6-11,16-17,25,37H,12-15H2,1-5H3,(H2,32,33,39)/t16-,17-,25+/m0/s1 SMILES CC1=NOC(C)=C1NC(=O)NC1=CC=CC2=C1O[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)21-7-6-8-24(32-29(39)33-26-18(3)34-41-19(26)4)27(21)40-25(16)14-35(5)13-20-9-10-22(30)23(31)11-20/h6-11,16-17,25,37H,12-15H2,1-5H3,(H2,32,33,39)/t16-,17-,25+/m0/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:21]2=[C:27]([C:24]([N:32]=[C:29]([NH:33][C:26]3=[C:19]([CH3:4])[O:41][N:34]=[C:18]3[CH3:3])[OH:39])=[CH:8][CH:6]=[CH:7]2)[O:40][C@@H:25]1[CH2:14][N:35]([CH3:5])[CH2:13][C:20]1=[CH:11][C:23]([Cl:31])=[C:22]([Cl:30])[CH:10]=[CH:9]1

Parent-child relations graph

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