| Properties | Image |
|---|
| MNX_ID | MNXM1122369 |
 |
| reference | chebi:159762 |
| formula | C9H16N4O5S |
| global charge | 0 |
| mol weight | 292.317 |
| InChIKey | PLVAAIPKSGUXDV-WHFBIAKZSA-N |
| InChI | InChI=1S/C9H16N4O5S/c10-4(1-6(11)14)8(16)12-2-7(15)13-5(3-19)9(17)18/h4-5,19H,1-3,10H2,(H2,11,14)(H,12,16)(H,13,15)(H,17,18)/t4-,5-/m0/s1 |
| SMILES | NC(=O)C[C@H](N)C(=O)NCC(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C9H16N4O5S/c10-4(1-6(11)14)8(16)12-2-7(15)13-5(3-19)9(17)18/h4-5,19H,1-3,10H2,(H2,11,14)(H,12,16)(H,13,15)(H,17,18)/t4-,5-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([C@@H:4]([C:8](=[N:12][CH2:2][C:7](=[N:13][C@@H:5]([CH2:3][SH:19])[C:9](=[O:17])[OH:18])[OH:15])[OH:16])[NH2:10])[C:6](=[NH:11])[OH:14] |
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