| Properties | Image |
| MNX_ID | MNXM1121118 |
 |
| reference | chebi:158505 |
| formula | C11H21N3O5S |
| global charge | 0 |
| mol weight | 307.372 |
| InChIKey | OMCKWYSDUQBYCN-FXQIFTODSA-N |
| InChI | InChI=1S/C11H21N3O5S/c1-6(12)9(16)14-8(5-15)10(17)13-7(11(18)19)3-4-20-2/h6-8,15H,3-5,12H2,1-2H3,(H,13,17)(H,14,16)(H,18,19)/t6-,7-,8-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H21N3O5S/c1-6(12)9(16)14-8(5-15)10(17)13-7(11(18)19)3-4-20-2/h6-8,15H,3-5,12H2,1-2H3,(H,13,17)(H,14,16)(H,18,19)/t6-,7-,8-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:6]([C:9](=[N:14][C@@H:8]([CH2:5][OH:15])[C:10](=[N:13][C@@H:7]([CH2:3][CH2:4][S:20][CH3:2])[C:11](=[O:18])[OH:19])[OH:17])[OH:16])[NH2:12] |
|