| Properties | Image |
| MNX_ID | MNXM1126155 |
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| reference | chebi:163569 |
| formula | C9H15N3O6S |
| global charge | 0 |
| mol weight | 293.301 |
| InChIKey | GZBZACMXFIPIDX-WHFBIAKZSA-N |
| InChI | InChI=1S/C9H15N3O6S/c10-2-6(13)11-5(3-19)8(16)12-4(9(17)18)1-7(14)15/h4-5,19H,1-3,10H2,(H,11,13)(H,12,16)(H,14,15)(H,17,18)/t4-,5-/m0/s1 |
| SMILES | NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C9H15N3O6S/c10-2-6(13)11-5(3-19)8(16)12-4(9(17)18)1-7(14)15/h4-5,19H,1-3,10H2,(H,11,13)(H,12,16)(H,14,15)(H,17,18)/t4-,5-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([C@@H:4]([C:9](=[O:17])[OH:18])[N:12]=[C:8]([C@H:5]([CH2:3][SH:19])[N:11]=[C:6]([CH2:2][NH2:10])[OH:13])[OH:16])[C:7](=[O:14])[OH:15] |
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