| Properties | Image |
| MNX_ID | MNXM1126011 |
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| reference | chebi:163425 |
| formula | C9H17N3O6S |
| global charge | 0 |
| mol weight | 295.317 |
| InChIKey | VFWQQZMRKFOGLE-ZLUOBGJFSA-N |
| InChI | InChI=1S/C9H17N3O6S/c10-4(1-13)7(15)11-5(2-14)8(16)12-6(3-19)9(17)18/h4-6,13-14,19H,1-3,10H2,(H,11,15)(H,12,16)(H,17,18)/t4-,5-,6-/m0/s1 |
| SMILES | N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C9H17N3O6S/c10-4(1-13)7(15)11-5(2-14)8(16)12-6(3-19)9(17)18/h4-6,13-14,19H,1-3,10H2,(H,11,15)(H,12,16)(H,17,18)/t4-,5-,6-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([C@@H:4]([C:7](=[N:11][C@@H:5]([CH2:2][OH:14])[C:8](=[N:12][C@@H:6]([CH2:3][SH:19])[C:9](=[O:17])[OH:18])[OH:16])[OH:15])[NH2:10])[OH:13] |
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