L-Isolecucine 7-amido-4- methylcoumarin trifluoroacetate salt , CAS No.191723-68-9

Item Number

L334044

Grouped product items
SKU	Size	Availability	Price	Qty
L334044-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$141.90	+-
L334044-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$216.90	+-

an enzyme substrate

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Basic Description

Synonyms	HY-D1534 \| CS-0541861 \| L-Isoleucine 7-amido-4-methylcoumarin trifluoroacetate salt \| Rhodium, [(1,2,5,6-eta)-1,5-cyclooctadiene](1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)iodo- \| (2S,3S)-2-Amino-3-methyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)pentana
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Product Description	L-Isolecucine 7-amido-4- methylcoumarin trifluoroacetate salt is an enzyme substrate.

Names and Identifiers

IUPAC Name	(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide;2,2,2-trifluoroacetic acid
INCHI	InChI=1S/C16H20N2O3.C2HF3O2/c1-4-9(2)15(17)16(20)18-11-5-6-12-10(3)7-14(19)21-13(12)8-11;3-2(4,5)1(6)7/h5-9,15H,4,17H2,1-3H3,(H,18,20);(H,6,7)/t9-,15-;/m0./s1
InChi Key	XPPJTDCCTDQORL-UXZWUECBSA-N
Canonical SMILES	CCC(C)C(C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C)N.C(=O)(C(F)(F)F)O
Isomeric SMILES	CC[C@H](C)[C@@H](C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C)N.C(=O)(C(F)(F)F)O
PubChem CID	24802239
Molecular Weight	402.36

Chemical and Physical Properties

Solubility	Soluble in methanol
Molecular Weight	402.400 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	402.14 Da
Monoisotopic Mass	402.14 Da
Topological Polar Surface Area	119.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	530.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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Basic Description