| Properties | Image | Occurences in reactions |
MNX_ID | MNXM162055 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C31H53ClN2O5S |
charge | 0 |
mass | 600.33637 |
reference | keggD:D08666 |
InChIKey | MFBPRQKHDIVLOJ-UELAYHSHSA-N |
InChI | InChI=1S/C31H52N2O5S.ClH/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31;/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37);1H/t19?,20-,22+,24?,25-,26-,29+,30-,31-;/m0./s1 |
SMILES | C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)C(N)C(C)C)[C@]2(C)C(C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O.Cl |
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