| Properties | Image |
| MNX_ID | MNXM1121102 |
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| reference | chebi:158489 |
| formula | C9H17N3O5S |
| global charge | 0 |
| mol weight | 279.318 |
| InChIKey | AUFACLFHBAGZEN-ZLUOBGJFSA-N |
| InChI | InChI=1S/C9H17N3O5S/c1-4(10)7(14)11-5(2-13)8(15)12-6(3-18)9(16)17/h4-6,13,18H,2-3,10H2,1H3,(H,11,14)(H,12,15)(H,16,17)/t4-,5-,6-/m0/s1 |
| SMILES | C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C9H17N3O5S/c1-4(10)7(14)11-5(2-13)8(15)12-6(3-18)9(16)17/h4-6,13,18H,2-3,10H2,1H3,(H,11,14)(H,12,15)(H,16,17)/t4-,5-,6-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:4]([C:7](=[N:11][C@@H:5]([CH2:2][OH:13])[C:8](=[N:12][C@@H:6]([CH2:3][SH:18])[C:9](=[O:16])[OH:17])[OH:15])[OH:14])[NH2:10] |
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