1-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

Properties Image MNX_ID MNXM339063 reference chebi:108618 formula C30H35FN4O6S global charge 0 mol weight 598.697 InChIKey WWNAWZZZIRHUSD-GGJMMHKRSA-N InChI InChI=1S/C30H35FN4O6S/c1-20-17-35(21(2)19-36)29(37)16-22-15-25(33-30(38)32-24-7-5-4-6-8-24)11-14-27(22)41-28(20)18-34(3)42(39,40)26-12-9-23(31)10-13-26/h4-15,20-21,28,36H,16-19H2,1-3H3,(H2,32,33,38)/t20-,21+,28+/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)C(=O)CC2=C(C=CC(NC(=O)NC3=CC=CC=C3)=C2)O[C@H]1CN(C)S(=O)(=O)C1=CC=C(F)C=C1 MNX internals InChI (mnx) InChI=1/C30H35FN4O6S/c1-20-17-35(21(2)19-36)29(37)16-22-15-25(33-30(38)32-24-7-5-4-6-8-24)11-14-27(22)41-28(20)18-34(3)42(39,40)26-12-9-23(31)10-13-26/h4-15,20-21,28,36H,16-19H2,1-3H3,(H2,32,33,38)/t20-,21+,28+/m1/s1 SMILES (mnx) [CH3:1][C@@H:20]1[CH2:17][N:35]([C@@H:21]([CH3:2])[CH2:19][OH:36])[C:29](=[O:37])[CH2:16][C:22]2=[C:27]([CH:14]=[CH:11][C:25]([NH:33][C:30](=[N:32][C:24]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)[OH:38])=[CH:15]2)[O:41][C@H:28]1[CH2:18][N:34]([CH3:3])[S:42]([C:26]1=[CH:13][CH:10]=[C:23]([F:31])[CH:9]=[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