| Properties | Image |
|---|
| MNX_ID | MNXM1126051 |
 |
| reference | chebi:163465 |
| formula | C10H19N3O6S |
| global charge | 0 |
| mol weight | 309.344 |
| InChIKey | SOACHCFYJMCMHC-BWBBJGPYSA-N |
| InChI | InChI=1S/C10H19N3O6S/c1-4(15)7(13-8(16)5(11)2-14)9(17)12-6(3-20)10(18)19/h4-7,14-15,20H,2-3,11H2,1H3,(H,12,17)(H,13,16)(H,18,19)/t4-,5+,6+,7+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C10H19N3O6S/c1-4(15)7(13-8(16)5(11)2-14)9(17)12-6(3-20)10(18)19/h4-7,14-15,20H,2-3,11H2,1H3,(H,12,17)(H,13,16)(H,18,19)/t4-,5+,6+,7+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:4]([C@@H:7]([C:9](=[N:12][C@@H:6]([CH2:3][SH:20])[C:10](=[O:18])[OH:19])[OH:17])[N:13]=[C:8]([C@H:5]([CH2:2][OH:14])[NH2:11])[OH:16])[OH:15] |
|