| Properties | Image |
| MNX_ID | MNXM1123810 |
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| reference | chebi:161212 |
| formula | C12H19N3O6S |
| global charge | 0 |
| mol weight | 333.366 |
| InChIKey | BIVLWXQGXJLGKG-BIIVOSGPSA-N |
| InChI | InChI=1S/C12H19N3O6S/c13-6(5-22)10(18)14-7(4-9(16)17)11(19)15-3-1-2-8(15)12(20)21/h6-8,22H,1-5,13H2,(H,14,18)(H,16,17)(H,20,21)/t6-,7-,8+/m0/s1 |
| SMILES | N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H19N3O6S/c13-6(5-22)10(18)14-7(4-9(16)17)11(19)15-3-1-2-8(15)12(20)21/h6-8,22H,1-5,13H2,(H,14,18)(H,16,17)(H,20,21)/t6-,7-,8+/m0/s1 |
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| SMILES (mnx) | [CH2:1]1[CH2:2][C@H:8]([C:12](=[O:20])[OH:21])[N:15]([C:11]([C@H:7]([CH2:4][C:9](=[O:16])[OH:17])[N:14]=[C:10]([C@H:6]([CH2:5][SH:22])[NH2:13])[OH:18])=[O:19])[CH2:3]1 |
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