| Properties | Image |
| MNX_ID | MNXM1123822 |
 |
| reference | chebi:161224 |
| formula | C9H17N3O4S2 |
| global charge | 0 |
| mol weight | 295.386 |
| InChIKey | HYKFOHGZGLOCAY-ZLUOBGJFSA-N |
| InChI | InChI=1S/C9H17N3O4S2/c1-4(9(15)16)11-8(14)6(3-18)12-7(13)5(10)2-17/h4-6,17-18H,2-3,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)/t4-,5-,6-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C9H17N3O4S2/c1-4(9(15)16)11-8(14)6(3-18)12-7(13)5(10)2-17/h4-6,17-18H,2-3,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)/t4-,5-,6-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:4]([C:9](=[O:15])[OH:16])[N:11]=[C:8]([C@H:6]([CH2:3][SH:18])[N:12]=[C:7]([C@H:5]([CH2:2][SH:17])[NH2:10])[OH:13])[OH:14] |
|