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CHEBI:201417 - Valnemulin hydrochloride
| Formula | C31H52N2O5S.HCl |
| Net Charge | 0 |
| Average Mass | 601.294 |
| Monoisotopic Mass | 600.33637 |
| SMILES | C=CC1(C)CC(OC(=O)CSC(C)(C)CNC(=O)C(N)C(C)C)C2(C)C(C)CCC3(CCC(=O)C32)C(C)C1O.Cl |
| 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 |
| InChIKey | MFBPRQKHDIVLOJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Valnemulin hydrochloride (CHEBI:201417) is a carbotricyclic compound (CHEBI:38032) |
| Valnemulin hydrochloride (CHEBI:201417) is a carboxylic ester (CHEBI:33308) |
| Valnemulin hydrochloride (CHEBI:201417) is a cyclic ketone (CHEBI:3992) |
| IUPAC Name |
|---|
| [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[1-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropan-2-yl]sulanylacetate;hydrochloride |