| Properties | Image |
| MNX_ID | MNXM168543 |
 |
| reference | chebi:233102 |
| formula | C12H20N3O6S |
| global charge | -1 |
| mol weight | 334.374 |
| InChIKey | FRPHJRVMOFQLPK-CIUDSAMLSA-M |
| InChI | InChI=1S/C12H21N3O6S/c1-7(10(18)15-9(5-16)12(20)21)14-11(19)8(13-6-17)3-4-22-2/h6-9,16H,3-5H2,1-2H3,(H,13,17)(H,14,19)(H,15,18)(H,20,21)/p-1/t7-,8-,9-/m0/s1 |
| SMILES | CSCC[C@H](NC=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C12H21N3O6S/c1-7(10(18)15-9(5-16)12(20)21)14-11(19)8(13-6-17)3-4-22-2/h6-9,16H,3-5H2,1-2H3,(H,13,17)(H,14,19)(H,15,18)(H,20,21)/t7-,8-,9-/m0/s1 |
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| SMILES (mnx) | [C:1](=[CH2:2])([C@H:3]([CH3:5])[O:20][C:12]([N:13]([NH:14][O:21]=[S:22])[O:16][O:17][NH:15][OH:18])=[O:19])[CH2:4][C@H:7]([C:6](=[CH2:8])[CH3:9])[CH2:10][CH3:11] |
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