| Properties | Image | Occurences in reactions |
MNX_ID | MNXM164351 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 3 |
in models (compartimentalized) |
5 |
|
formula | C18H26N4O8S |
charge | 0 |
mass | 458.14713 |
reference | biggM:CE5025 |
InChIKey | YTAAHCYRCMYQCJ-QWRGUYRKSA-N |
InChI | InChI=1S/C18H26N4O8S/c19-4-3-9-5-12(23)16(27)13(6-9)31-8-11(17(28)21-7-15(25)26)22-14(24)2-1-10(20)18(29)30/h5-6,10-11,23,27H,1-4,7-8,19-20H2,(H,21,28)(H,22,24)(H,25,26)(H,29,30)/t10-,11-/m0/s1 |
SMILES | NCCc1cc(O)c(O)c(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c1 |
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