| Properties | Image |
|---|
| MNX_ID | MNXM1126703 |
 |
| reference | chebi:164118 |
| formula | C12H23N3O6S |
| global charge | 0 |
| mol weight | 337.398 |
| InChIKey | WRUWXBBEFUTJOU-XGEHTFHBSA-N |
| InChI | InChI=1S/C12H23N3O6S/c1-6(17)9(13)11(19)14-7(3-4-22-2)10(18)15-8(5-16)12(20)21/h6-9,16-17H,3-5,13H2,1-2H3,(H,14,19)(H,15,18)(H,20,21)/t6-,7+,8+,9+/m1/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H23N3O6S/c1-6(17)9(13)11(19)14-7(3-4-22-2)10(18)15-8(5-16)12(20)21/h6-9,16-17H,3-5,13H2,1-2H3,(H,14,19)(H,15,18)(H,20,21)/t6-,7+,8+,9+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:6]([C@@H:9]([C:11](=[N:14][C@@H:7]([CH2:3][CH2:4][S:22][CH3:2])[C:10](=[N:15][C@@H:8]([CH2:5][OH:16])[C:12](=[O:20])[OH:21])[OH:18])[OH:19])[NH2:13])[OH:17] |
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