1-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea

Properties Image MNX_ID MNXM339245 reference chebi:95231 formula C30H35FN4O7S global charge 0 mol weight 614.696 InChIKey RHACVXVAMDOZEC-BCDQWZCSSA-N InChI InChI=1S/C30H35FN4O7S/c1-19-16-35(20(2)18-36)29(37)26-15-23(33-30(38)32-22-7-10-24(41-4)11-8-22)9-14-27(26)42-28(19)17-34(3)43(39,40)25-12-5-21(31)6-13-25/h5-15,19-20,28,36H,16-18H2,1-4H3,(H2,32,33,38)/t19-,20+,28-/m0/s1 SMILES COC1=CC=C(NC(=O)NC2=CC3=C(C=C2)O[C@@H](CN(C)S(=O)(=O)C2=CC=C(F)C=C2)[C@@H](C)CN([C@H](C)CO)C3=O)C=C1 MNX internals InChI (mnx) InChI=1/C30H35FN4O7S/c1-19-16-35(20(2)18-36)29(37)26-15-23(33-30(38)32-22-7-10-24(41-4)11-8-22)9-14-27(26)42-28(19)17-34(3)43(39,40)25-12-5-21(31)6-13-25/h5-15,19-20,28,36H,16-18H2,1-4H3,(H2,32,33,38)/t19-,20+,28-/m0/s1 SMILES (mnx) [CH3:1][C@H:19]1[CH2:16][N:35]([C@H:20]([CH3:2])[CH2:18][OH:36])[C:29](=[O:37])[C:26]2=[C:27]([CH:14]=[CH:9][C:23]([N:33]=[C:30]([NH:32][C:22]3=[CH:8][CH:11]=[C:24]([O:41][CH3:4])[CH:10]=[CH:7]3)[OH:38])=[CH:15]2)[O:42][C@H:28]1[CH2:17][N:34]([CH3:3])[S:43]([C:25]1=[CH:13][CH:6]=[C:21]([F:31])[CH:5]=[CH:12]1)(=[O:39])=[O:40]

Parent-child relations graph

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