| Properties | Image |
|---|
| MNX_ID | MNXM1124170 |
 |
| reference | chebi:161572 |
| formula | C12H23N3O5S2 |
| global charge | 0 |
| mol weight | 353.466 |
| InChIKey | SNHRIJBANHPWMO-XGEHTFHBSA-N |
| InChI | InChI=1S/C12H23N3O5S2/c1-6(16)9(12(19)20)15-11(18)8(3-4-22-2)14-10(17)7(13)5-21/h6-9,16,21H,3-5,13H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)/t6-,7+,8+,9+/m1/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C12H23N3O5S2/c1-6(16)9(12(19)20)15-11(18)8(3-4-22-2)14-10(17)7(13)5-21/h6-9,16,21H,3-5,13H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)/t6-,7+,8+,9+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:6]([C@@H:9]([C:12](=[O:19])[OH:20])[N:15]=[C:11]([C@H:8]([CH2:3][CH2:4][S:22][CH3:2])[N:14]=[C:10]([C@H:7]([CH2:5][SH:21])[NH2:13])[OH:17])[OH:18])[OH:16] |
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