| Properties | Image |
| MNX_ID | MNXM1124311 |
 |
| reference | chebi:161715 |
| formula | C9H17N3O5S |
| global charge | 0 |
| mol weight | 279.318 |
| InChIKey | ALNKNYKSZPSLBD-ZDLURKLDSA-N |
| InChI | InChI=1S/C9H17N3O5S/c1-4(13)7(9(17)11-2-6(14)15)12-8(16)5(10)3-18/h4-5,7,13,18H,2-3,10H2,1H3,(H,11,17)(H,12,16)(H,14,15)/t4-,5+,7+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@@H](N)CS)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C9H17N3O5S/c1-4(13)7(9(17)11-2-6(14)15)12-8(16)5(10)3-18/h4-5,7,13,18H,2-3,10H2,1H3,(H,11,17)(H,12,16)(H,14,15)/t4-,5+,7+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:4]([C@@H:7]([C:9](=[N:11][CH2:2][C:6](=[O:14])[OH:15])[OH:17])[N:12]=[C:8]([C@H:5]([CH2:3][SH:18])[NH2:10])[OH:16])[OH:13] |
|