1-[[(4S,5R)-8-[(3R)-3-hydroxybut-1-ynyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propan-2-ylurea

Properties Image MNX_ID MNXM341844 reference chebi:96646 formula C23H35N3O6S global charge 0 mol weight 481.615 InChIKey VEFOSOMUCSIFLK-UGNRZPKXSA-N InChI InChI=1S/C23H35N3O6S/c1-15(2)24-23(29)25(6)13-21-16(3)12-26(17(4)14-27)33(30,31)22-10-9-19(8-7-18(5)28)11-20(22)32-21/h9-11,15-18,21,27-28H,12-14H2,1-6H3,(H,24,29)/t16-,17-,18+,21-/m0/s1 SMILES CC(C)NC(=O)N(C)C[C@@H]1OC2=C(C=CC(C#C[C@@H](C)O)=C2)S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C23H35N3O6S/c1-15(2)24-23(29)25(6)13-21-16(3)12-26(17(4)14-27)33(30,31)22-10-9-19(8-7-18(5)28)11-20(22)32-21/h9-11,15-18,21,27-28H,12-14H2,1-6H3,(H,24,29)/t16-,17-,18+,21-/m0/s1 SMILES (mnx) [CH3:1][CH:15]([CH3:2])[N:24]=[C:23]([N:25]([CH3:6])[CH2:13][C@H:21]1[C@@H:16]([CH3:3])[CH2:12][N:26]([C@@H:17]([CH3:4])[CH2:14][OH:27])[S:33](=[O:30])(=[O:31])[C:22]2=[C:20]([CH:11]=[C:19]([C:8]#[C:7][C@@H:18]([CH3:5])[OH:28])[CH:9]=[CH:10]2)[O:32]1)[OH:29]

Parent-child relations graph

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