| Properties | Image |
|---|
| MNX_ID | MNXM1126381 |
 |
| reference | chebi:163795 |
| formula | C12H21N3O5S |
| global charge | 0 |
| mol weight | 319.383 |
| InChIKey | KWQBJOUOSNJDRR-XAVMHZPKSA-N |
| InChI | InChI=1S/C12H21N3O5S/c1-6(16)9(13)10(17)14-7(5-21)11(18)15-4-2-3-8(15)12(19)20/h6-9,16,21H,2-5,13H2,1H3,(H,14,17)(H,19,20)/t6-,7+,8-,9+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H21N3O5S/c1-6(16)9(13)10(17)14-7(5-21)11(18)15-4-2-3-8(15)12(19)20/h6-9,16,21H,2-5,13H2,1H3,(H,14,17)(H,19,20)/t6-,7+,8-,9+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:6]([C@@H:9]([C:10](=[N:14][C@@H:7]([CH2:5][SH:21])[C:11]([N:15]1[CH2:4][CH2:2][CH2:3][C@@H:8]1[C:12](=[O:19])[OH:20])=[O:18])[OH:17])[NH2:13])[OH:16] |
|