| Properties | Image |
| MNX_ID | MNXM1123175 |
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| reference | chebi:160575 |
| formula | C11H19N3O6S |
| global charge | 0 |
| mol weight | 321.355 |
| InChIKey | RQYMKRMRZWJGHC-BQBZGAKWSA-N |
| InChI | InChI=1S/C11H19N3O6S/c1-21-3-2-7(11(19)20)14-8(15)5-13-10(18)6(12)4-9(16)17/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)CNC(=O)[C@@H](N)CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H19N3O6S/c1-21-3-2-7(11(19)20)14-8(15)5-13-10(18)6(12)4-9(16)17/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:21][CH2:3][CH2:2][C@@H:7]([C:11](=[O:19])[OH:20])[N:14]=[C:8]([CH2:5][N:13]=[C:10]([C@H:6]([CH2:4][C:9](=[O:16])[OH:17])[NH2:12])[OH:18])[OH:15] |
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