| Properties | Image |
| MNX_ID | MNXM1126620 |
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| reference | chebi:164035 |
| formula | C9H17N3O5S |
| global charge | 0 |
| mol weight | 279.318 |
| InChIKey | ZKJZBRHRWKLVSJ-ZDLURKLDSA-N |
| InChI | InChI=1S/C9H17N3O5S/c1-4(13)7(12-6(14)2-10)8(15)11-5(3-18)9(16)17/h4-5,7,13,18H,2-3,10H2,1H3,(H,11,15)(H,12,14)(H,16,17)/t4-,5+,7+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)CN)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C9H17N3O5S/c1-4(13)7(12-6(14)2-10)8(15)11-5(3-18)9(16)17/h4-5,7,13,18H,2-3,10H2,1H3,(H,11,15)(H,12,14)(H,16,17)/t4-,5+,7+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:4]([C@@H:7]([C:8](=[N:11][C@@H:5]([CH2:3][SH:18])[C:9](=[O:16])[OH:17])[OH:15])[N:12]=[C:6]([CH2:2][NH2:10])[OH:14])[OH:13] |
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