| Properties | Image |
| MNX_ID | MNXM1123052 |
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| reference | chebi:160451 |
| formula | C9H15N3O6S |
| global charge | 0 |
| mol weight | 293.301 |
| InChIKey | QQXOYLWJQUPXJU-WHFBIAKZSA-N |
| InChI | InChI=1S/C9H15N3O6S/c10-4(1-6(13)14)8(17)12-5(3-19)9(18)11-2-7(15)16/h4-5,19H,1-3,10H2,(H,11,18)(H,12,17)(H,13,14)(H,15,16)/t4-,5-/m0/s1 |
| SMILES | N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C9H15N3O6S/c10-4(1-6(13)14)8(17)12-5(3-19)9(18)11-2-7(15)16/h4-5,19H,1-3,10H2,(H,11,18)(H,12,17)(H,13,14)(H,15,16)/t4-,5-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([C@@H:4]([C:8](=[N:12][C@@H:5]([CH2:3][SH:19])[C:9](=[N:11][CH2:2][C:7](=[O:15])[OH:16])[OH:18])[OH:17])[NH2:10])[C:6](=[O:13])[OH:14] |
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