| Properties | Image |
| MNX_ID | MNXM1120795 |
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| reference | chebi:158178 |
| formula | C8H15N3O4S |
| global charge | 0 |
| mol weight | 249.292 |
| InChIKey | LJFNNUBZSZCZFN-WHFBIAKZSA-N |
| InChI | InChI=1S/C8H15N3O4S/c1-4(9)7(13)10-2-6(12)11-5(3-16)8(14)15/h4-5,16H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5-/m0/s1 |
| SMILES | C[C@H](N)C(=O)NCC(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C8H15N3O4S/c1-4(9)7(13)10-2-6(12)11-5(3-16)8(14)15/h4-5,16H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:4]([C:7](=[N:10][CH2:2][C:6](=[N:11][C@@H:5]([CH2:3][SH:16])[C:8](=[O:14])[OH:15])[OH:12])[OH:13])[NH2:9] |
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