| Properties | Image |
|---|
| MNX_ID | MNXM1126761 |
 |
| reference | chebi:164176 |
| formula | C12H21N3O5S |
| global charge | 0 |
| mol weight | 319.383 |
| InChIKey | DNCUODYZAMHLCV-XGEHTFHBSA-N |
| InChI | InChI=1S/C12H21N3O5S/c1-6(16)9(13)11(18)15-4-2-3-8(15)10(17)14-7(5-21)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)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H21N3O5S/c1-6(16)9(13)11(18)15-4-2-3-8(15)10(17)14-7(5-21)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:11]([N:15]1[CH2:4][CH2:2][CH2:3][C@H:8]1[C:10](=[N:14][C@@H:7]([CH2:5][SH:21])[C:12](=[O:19])[OH:20])[OH:17])=[O:18])[NH2:13])[OH:16] |
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