| Properties | Image |
| MNX_ID | MNXM1124249 |
 |
| reference | chebi:161652 |
| formula | C12H21N3O5S |
| global charge | 0 |
| mol weight | 319.383 |
| InChIKey | TXGDWPBLUFQODU-XGEHTFHBSA-N |
| InChI | InChI=1S/C12H21N3O5S/c1-6(16)9(12(19)20)14-10(17)8-3-2-4-15(8)11(18)7(13)5-21/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](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H21N3O5S/c1-6(16)9(12(19)20)14-10(17)8-3-2-4-15(8)11(18)7(13)5-21/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:12](=[O:19])[OH:20])[N:14]=[C:10]([C@@H:8]1[CH2:3][CH2:2][CH2:4][N:15]1[C:11]([C@H:7]([CH2:5][SH:21])[NH2:13])=[O:18])[OH:17])[OH:16] |
|