1-[[(4R,5S)-8-(1-cyclopentenyl)-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 MNXM341798 reference chebi:110026 formula C24H37N3O5S global charge 0 mol weight 479.643 InChIKey UDSHYHUEGCAODY-KGVIQGDOSA-N InChI InChI=1S/C24H37N3O5S/c1-5-12-25-24(29)26(4)15-22-17(2)14-27(18(3)16-28)33(30,31)23-11-10-20(13-21(23)32-22)19-8-6-7-9-19/h8,10-11,13,17-18,22,28H,5-7,9,12,14-16H2,1-4H3,(H,25,29)/t17-,18+,22-/m1/s1 SMILES CCCNC(=O)N(C)C[C@H]1OC2=C(C=CC(C3=CCCC3)=C2)S(=O)(=O)N([C@@H](C)CO)C[C@H]1C MNX internals InChI (mnx) InChI=1/C24H37N3O5S/c1-5-12-25-24(29)26(4)15-22-17(2)14-27(18(3)16-28)33(30,31)23-11-10-20(13-21(23)32-22)19-8-6-7-9-19/h8,10-11,13,17-18,22,28H,5-7,9,12,14-16H2,1-4H3,(H,25,29)/t17-,18+,22-/m1/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:12][N:25]=[C:24]([N:26]([CH3:4])[CH2:15][C@@H:22]1[C@H:17]([CH3:2])[CH2:14][N:27]([C@@H:18]([CH3:3])[CH2:16][OH:28])[S:33](=[O:30])(=[O:31])[C:23]2=[C:21]([CH:13]=[C:20]([C:19]3=[CH:8][CH2:6][CH2:7][CH2:9]3)[CH:10]=[CH:11]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