| Properties | Image |
| MNX_ID | MNXM1124167 |
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| reference | chebi:161569 |
| formula | C11H21N3O5S2 |
| global charge | 0 |
| mol weight | 339.439 |
| InChIKey | HJGUQJJJXQGXGJ-FXQIFTODSA-N |
| InChI | InChI=1S/C11H21N3O5S2/c1-21-3-2-7(13-9(16)6(12)5-20)10(17)14-8(4-15)11(18)19/h6-8,15,20H,2-5,12H2,1H3,(H,13,16)(H,14,17)(H,18,19)/t6-,7-,8-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H21N3O5S2/c1-21-3-2-7(13-9(16)6(12)5-20)10(17)14-8(4-15)11(18)19/h6-8,15,20H,2-5,12H2,1H3,(H,13,16)(H,14,17)(H,18,19)/t6-,7-,8-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:21][CH2:3][CH2:2][C@@H:7]([C:10](=[N:14][C@@H:8]([CH2:4][OH:15])[C:11](=[O:18])[OH:19])[OH:17])[N:13]=[C:9]([C@H:6]([CH2:5][SH:20])[NH2:12])[OH:16] |
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