| Properties | Image | Occurences in reactions |
MNX_ID | MNXM103037 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C22H32N4O6S |
charge | 0 |
mass | 480.20426 |
reference | keggD:D03095 |
InChIKey | BBCCQANBCHACAE-TUTYNZERSA-N |
InChI | InChI=1S/C16H18N2O4S.C6H14N2O2/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;7-4-2-1-3-5(8)6(9)10/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5H,1-4,7-8H2,(H,9,10)/t11-,12+,14-;5-/m10/s1 |
SMILES | CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.NCCCC[C@H](N)C(=O)O |
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