| Properties | Image |
| MNX_ID | MNXM1123675 |
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| reference | chebi:161077 |
| formula | C11H21N3O6S |
| global charge | 0 |
| mol weight | 323.371 |
| InChIKey | MIXPUVSPPOWTCR-FXQIFTODSA-N |
| InChI | InChI=1S/C11H21N3O6S/c1-21-3-2-6(12)9(17)13-7(4-15)10(18)14-8(5-16)11(19)20/h6-8,15-16H,2-5,12H2,1H3,(H,13,17)(H,14,18)(H,19,20)/t6-,7-,8-/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H21N3O6S/c1-21-3-2-6(12)9(17)13-7(4-15)10(18)14-8(5-16)11(19)20/h6-8,15-16H,2-5,12H2,1H3,(H,13,17)(H,14,18)(H,19,20)/t6-,7-,8-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:21][CH2:3][CH2:2][C@@H:6]([C:9](=[N:13][C@@H:7]([CH2:4][OH:15])[C:10](=[N:14][C@@H:8]([CH2:5][OH:16])[C:11](=[O:19])[OH:20])[OH:18])[OH:17])[NH2:12] |
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