| Properties | Image |
| MNX_ID | MNXM1120673 |
 |
| reference | chebi:158054 |
| formula | C9H17N3O4S |
| global charge | 0 |
| mol weight | 263.319 |
| InChIKey | DECCMEWNXSNSDO-ZLUOBGJFSA-N |
| InChI | InChI=1S/C9H17N3O4S/c1-4(10)7(13)12-6(3-17)8(14)11-5(2)9(15)16/h4-6,17H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)/t4-,5-,6-/m0/s1 |
| SMILES | C[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C9H17N3O4S/c1-4(10)7(13)12-6(3-17)8(14)11-5(2)9(15)16/h4-6,17H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)/t4-,5-,6-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:4]([C:7](=[N:12][C@@H:6]([CH2:3][SH:17])[C:8](=[N:11][C@@H:5]([CH3:2])[C:9](=[O:15])[OH:16])[OH:14])[OH:13])[NH2:10] |
|