1-[(2R,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-8-yl]-3-phenylurea

Properties Image MNX_ID MNXM339236 reference chebi:129275 formula C30H34Cl2N4O4 global charge 0 mol weight 585.532 InChIKey IFBPROAPJJMGOW-JVAKCPTJSA-N InChI InChI=1S/C30H34Cl2N4O4/c1-19-15-36(20(2)18-37)29(38)24-14-23(34-30(39)33-22-7-5-4-6-8-22)10-12-27(24)40-28(19)17-35(3)16-21-9-11-25(31)26(32)13-21/h4-14,19-20,28,37H,15-18H2,1-3H3,(H2,33,34,39)/t19-,20-,28-/m0/s1 SMILES C[C@H]1CN([C@@H](C)CO)C(=O)C2=C(C=CC(NC(=O)NC3=CC=CC=C3)=C2)O[C@H]1CN(C)CC1=CC(Cl)=C(Cl)C=C1 MNX internals InChI (mnx) InChI=1/C30H34Cl2N4O4/c1-19-15-36(20(2)18-37)29(38)24-14-23(34-30(39)33-22-7-5-4-6-8-22)10-12-27(24)40-28(19)17-35(3)16-21-9-11-25(31)26(32)13-21/h4-14,19-20,28,37H,15-18H2,1-3H3,(H2,33,34,39)/t19-,20-,28-/m0/s1 SMILES (mnx) [CH3:1][C@H:19]1[CH2:15][N:36]([C@@H:20]([CH3:2])[CH2:18][OH:37])[C:29](=[O:38])[C:24]2=[C:27]([CH:12]=[CH:10][C:23]([NH:34][C:30](=[N:33][C:22]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)[OH:39])=[CH:14]2)[O:40][C@H:28]1[CH2:17][N:35]([CH3:3])[CH2:16][C:21]1=[CH:13][C:26]([Cl:32])=[C:25]([Cl:31])[CH:11]=[CH:9]1

Parent-child relations graph

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