| Properties | Image |
| MNX_ID | MNXM1123853 |
 |
| reference | chebi:161255 |
| formula | C10H19N3O5S2 |
| global charge | 0 |
| mol weight | 325.412 |
| InChIKey | KOHBWQDSVCARMI-BWBBJGPYSA-N |
| InChI | InChI=1S/C10H19N3O5S2/c1-4(14)7(10(17)18)13-9(16)6(3-20)12-8(15)5(11)2-19/h4-7,14,19-20H,2-3,11H2,1H3,(H,12,15)(H,13,16)(H,17,18)/t4-,5+,6+,7+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C10H19N3O5S2/c1-4(14)7(10(17)18)13-9(16)6(3-20)12-8(15)5(11)2-19/h4-7,14,19-20H,2-3,11H2,1H3,(H,12,15)(H,13,16)(H,17,18)/t4-,5+,6+,7+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:4]([C@@H:7]([C:10](=[O:17])[OH:18])[N:13]=[C:9]([C@H:6]([CH2:3][SH:20])[N:12]=[C:8]([C@H:5]([CH2:2][SH:19])[NH2:11])[OH:15])[OH:16])[OH:14] |
|