| Properties | Image | Occurences in reactions |
MNX_ID | MNXM169050 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 1 |
in models (compartimentalized) |
1 |
|
formula | C16H21N5O8S |
charge | -2 |
mass | 443.11218 |
reference | biggM:CE7220 |
InChIKey | GAVRWBMQPWMOGY-TZIJJQLOSA-L |
InChI | InChI=1S/C16H23N5O8S/c17-8(16(28)29)1-2-12(22)21-10(15(27)19-5-14(25)26)6-30-11(3-13(23)24)9-4-18-7-20-9/h4,7-8,10-11H,1-3,5-6,17H2,(H,18,20)(H,19,27)(H,21,22)(H,23,24)(H,25,26)(H,28,29)/p-2/t8-,10-,11?/m1/s1 |
SMILES | N[C@H](CCC([O-])=N[C@H](CSC(CC(=O)[O-])c1cnc[nH]1)C(O)=NCC(=O)O)C(=O)O |
|