| Properties | Image |
| MNX_ID | MNXM1123180 |
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| reference | chebi:160580 |
| formula | C11H19N3O6S |
| global charge | 0 |
| mol weight | 321.355 |
| InChIKey | FJVJLMZUIGMFFU-BQBZGAKWSA-N |
| InChI | InChI=1S/C11H19N3O6S/c1-21-3-2-6(12)10(19)14-7(4-8(15)16)11(20)13-5-9(17)18/h6-7H,2-5,12H2,1H3,(H,13,20)(H,14,19)(H,15,16)(H,17,18)/t6-,7-/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H19N3O6S/c1-21-3-2-6(12)10(19)14-7(4-8(15)16)11(20)13-5-9(17)18/h6-7H,2-5,12H2,1H3,(H,13,20)(H,14,19)(H,15,16)(H,17,18)/t6-,7-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:21][CH2:3][CH2:2][C@@H:6]([C:10](=[N:14][C@@H:7]([CH2:4][C:8](=[O:15])[OH:16])[C:11](=[N:13][CH2:5][C:9](=[O:17])[OH:18])[OH:20])[OH:19])[NH2:12] |
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