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

Properties Image MNX_ID MNXM341819 reference chebi:96113 formula C23H33N5O5S global charge 0 mol weight 491.614 InChIKey NMUQMAVVZJKKCB-FVJLSDCUSA-N InChI InChI=1S/C23H33N5O5S/c1-5-8-26-23(30)27(4)13-21-16(2)12-28(17(3)14-29)34(31,32)22-7-6-18(9-20(22)33-21)19-10-24-15-25-11-19/h6-7,9-11,15-17,21,29H,5,8,12-14H2,1-4H3,(H,26,30)/t16-,17+,21-/m0/s1 SMILES CCCNC(=O)N(C)C[C@@H]1OC2=C(C=CC(C3=CN=CN=C3)=C2)S(=O)(=O)N([C@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C23H33N5O5S/c1-5-8-26-23(30)27(4)13-21-16(2)12-28(17(3)14-29)34(31,32)22-7-6-18(9-20(22)33-21)19-10-24-15-25-11-19/h6-7,9-11,15-17,21,29H,5,8,12-14H2,1-4H3,(H,26,30)/t16-,17+,21-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:8][N:26]=[C:23]([N:27]([CH3:4])[CH2:13][C@H:21]1[C@@H:16]([CH3:2])[CH2:12][N:28]([C@H:17]([CH3:3])[CH2:14][OH:29])[S:34](=[O:31])(=[O:32])[C:22]2=[C:20]([CH:9]=[C:18]([C:19]3=[CH:10][N:24]=[CH:15][N:25]=[CH:11]3)[CH:6]=[CH:7]2)[O:33]1)[OH:30]

Parent-child relations graph

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