| Properties | Image |
| MNX_ID | MNXM1126580 |
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| reference | chebi:163995 |
| formula | C8H15N3O5S |
| global charge | 0 |
| mol weight | 265.291 |
| InChIKey | LBDXVCBAJJNJNN-WHFBIAKZSA-N |
| InChI | InChI=1S/C8H15N3O5S/c9-1-6(13)10-4(2-12)7(14)11-5(3-17)8(15)16/h4-5,12,17H,1-3,9H2,(H,10,13)(H,11,14)(H,15,16)/t4-,5-/m0/s1 |
| SMILES | NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C8H15N3O5S/c9-1-6(13)10-4(2-12)7(14)11-5(3-17)8(15)16/h4-5,12,17H,1-3,9H2,(H,10,13)(H,11,14)(H,15,16)/t4-,5-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([C:6](=[N:10][C@@H:4]([CH2:2][OH:12])[C:7](=[N:11][C@@H:5]([CH2:3][SH:17])[C:8](=[O:15])[OH:16])[OH:14])[OH:13])[NH2:9] |
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