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Valnemulin-[d6]

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General Information
Catalog: BLP-007564
Molecular Formula: C31H46D6N2O5S
Molecular Weight: 570.86

Chemical Structure

Description	Valnemulin-[d6] is a labelled compound of Valnemulin which is a semisynthetic antibiotic, prepared by sequential reaction of pleuromutilin tosylate with 2-amino-1,1-dimethylethylthiol, coupling the free amine with a protected valine and then deprotection.
IUPAC Name	[(1S,2R,3S,4S,6R,7R,8R,14S)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-yl]sulfanylacetate
Related CAS	101312-92-9 (unlabelled)
Canonical SMILES	CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC(C)(C)CNC(=O)C(C(C)C)N)C
InChI	InChI=1S/C31H52N2O5S/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)/t19-,20-,22+,24+,25-,26-,29+,30-,31-/m0/s1/i6D3,7D3
InChI Key	LLYYNOVSVPBRGV-UPYBRTQDSA-N
Storage	Store at -20°C