| Properties | Image |
| MNX_ID | MNXM1123329 |
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| reference | chebi:160730 |
| formula | C11H20N4O5S |
| global charge | 0 |
| mol weight | 320.371 |
| InChIKey | WWWGMQHQSAUXBU-BQBZGAKWSA-N |
| InChI | InChI=1S/C11H20N4O5S/c1-21-3-2-6(12)10(18)14-5-9(17)15-7(11(19)20)4-8(13)16/h6-7H,2-5,12H2,1H3,(H2,13,16)(H,14,18)(H,15,17)(H,19,20)/t6-,7-/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H20N4O5S/c1-21-3-2-6(12)10(18)14-5-9(17)15-7(11(19)20)4-8(13)16/h6-7H,2-5,12H2,1H3,(H2,13,16)(H,14,18)(H,15,17)(H,19,20)/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][CH2:5][C:9](=[N:15][C@@H:7]([CH2:4][C:8](=[NH:13])[OH:16])[C:11](=[O:19])[OH:20])[OH:17])[OH:18])[NH2:12] |
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