| Properties | Image |
MNX_ID | MNXM164980 |
 |
reference | sabiorkM:24607 |
formula | C9H15NO5S |
global charge | 0 |
mol weight | 249.288 |
InChIKey | CZFFMUMOBDIXJU-LURJTMIESA-N |
InChI | InChI=1S/C9H15NO5S/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1 |
SMILES | CSCC[C@H](N=C(O)CCC(=O)O)C(=O)O |
MNX internals
InChI (mnx) | InChI=1/C9H15NO5S/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1 |
 |
SMILES (mnx) | [CH3:1][S:16][CH2:5][CH2:4][C@@H:6]([C:9](=[O:14])[OH:15])[N:10]=[C:7]([CH2:2][CH2:3][C:8](=[O:12])[OH:13])[OH:11] |
|