compound 0059511

Properties Image MNX_ID MNXM1185572 reference envipathM:...96bbd19bb8a1 formula C15H23NO4S global charge 0 mol weight 313.419 InChIKey VXSSGEBPLLGZCS-UHFFFAOYSA-N InChI InChI=1S/C15H23NO4S/c1-2-4-11(16)14-12(17)7-10(8-13(14)18)15(19)5-3-6-21(20)9-15/h10,14,16,19H,2-9H2,1H3 SMILES CCCC(=N)C1C(=O)CC(C2(O)CCCS(=O)C2)CC1=O MNX internals InChI (mnx) InChI=1/C15H23NO4S/c1-2-4-11(16)14-12(17)7-10(8-13(14)18)15(19)5-3-6-21(20)9-15/h10,14,16,19H,2-9H2,1H3/b16-11?/t10?,14?,15?,21? SMILES (mnx) [CH3:1][CH2:2][CH2:4][C:11]([CH:14]1[C:12](=[O:17])[CH2:7][CH:10]([C:15]2([OH:19])[CH2:5][CH2:3][CH2:6][S:21](=[O:20])[CH2:9]2)[CH2:8][C:13]1=[O:18])=[NH:16]

Parent-child relations graph

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