| Properties | Image |
|---|
| MNX_ID | MNXM1123349 |
 |
| reference | chebi:160750 |
| formula | C12H23N3O4S2 |
| global charge | 0 |
| mol weight | 337.467 |
| InChIKey | UZVKFARGHHMQGX-IUCAKERBSA-N |
| InChI | InChI=1S/C12H23N3O4S2/c1-20-5-3-8(13)11(17)14-7-10(16)15-9(12(18)19)4-6-21-2/h8-9H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t8-,9-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)CNC(=O)[C@@H](N)CCSC)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H23N3O4S2/c1-20-5-3-8(13)11(17)14-7-10(16)15-9(12(18)19)4-6-21-2/h8-9H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t8-,9-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][S:20][CH2:5][CH2:3][C@@H:8]([C:11](=[N:14][CH2:7][C:10](=[N:15][C@@H:9]([CH2:4][CH2:6][S:21][CH3:2])[C:12](=[O:18])[OH:19])[OH:16])[OH:17])[NH2:13] |
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