(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-1-methyl-4-propyl-2-pyrrolidinecarboxamide

Properties Image MNX_ID MNXM171815 reference chebi:104018 formula C18H34N2O6S global charge 0 mol weight 406.545 InChIKey OJMMVQQUTAEWLP-HZUSHKNOSA-N InChI InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14+,15-,16-,18-/m1/s1 SMILES CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)O)N(C)C1 MNX internals InChI (mnx) InChI=1/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14+,15-,16-,18-/m1/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:6][C@@H:10]1[CH2:7][C@@H:11]([C:17](=[N:19][C@H:12]([C@@H:9]([CH3:2])[OH:21])[C@@H:16]2[C@@H:14]([OH:23])[C@H:13]([OH:22])[C@@H:15]([OH:24])[C@@H:18]([S:27][CH3:4])[O:26]2)[OH:25])[N:20]([CH3:3])[CH2:8]1

Parent-child relations graph

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