1-[[(4S,5R)-8-(3-hydroxy-3-methylbut-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-propylurea

Properties Image MNX_ID MNXM341842 reference chebi:96671 formula C24H37N3O6S global charge 0 mol weight 495.642 InChIKey JAWXPOQCFIAERV-WFXMLNOXSA-N InChI InChI=1S/C24H37N3O6S/c1-7-12-25-23(29)26(6)15-21-17(2)14-27(18(3)16-28)34(31,32)22-9-8-19(13-20(22)33-21)10-11-24(4,5)30/h8-9,13,17-18,21,28,30H,7,12,14-16H2,1-6H3,(H,25,29)/t17-,18-,21-/m0/s1 SMILES CCCNC(=O)N(C)C[C@@H]1OC2=C(C=CC(C#CC(C)(C)O)=C2)S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C24H37N3O6S/c1-7-12-25-23(29)26(6)15-21-17(2)14-27(18(3)16-28)34(31,32)22-9-8-19(13-20(22)33-21)10-11-24(4,5)30/h8-9,13,17-18,21,28,30H,7,12,14-16H2,1-6H3,(H,25,29)/t17-,18-,21-/m0/s1 SMILES (mnx) [CH3:1][CH2:7][CH2:12][N:25]=[C:23]([N:26]([CH3:6])[CH2:15][C@H:21]1[C@@H:17]([CH3:2])[CH2:14][N:27]([C@@H:18]([CH3:3])[CH2:16][OH:28])[S:34](=[O:31])(=[O:32])[C:22]2=[C:20]([CH:13]=[C:19]([C:10]#[C:11][C:24]([CH3:4])([CH3:5])[OH:30])[CH:8]=[CH:9]2)[O:33]1)[OH:29]

Parent-child relations graph

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