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

COA

Cas Number: 191723-68-9
Molecular Weight: 402.36
PubChem CID: 24802239

In stock

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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Biochemical Assay Reagents (928)

Basic Description

Synonyms	HY-D1534 \| 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)pentanamide trifluor
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	L-Isolecucine 7-amido-4- methylcoumarin trifluoroacetate salt is an enzyme substrate.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Isoleucine and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Isoleucine and derivatives
Alternative Parents	Alpha amino acid amides Coumarins and derivatives 1-benzopyrans N-arylamides Pyranones and derivatives Benzenoids Fatty amides Alpha-halocarboxylic acids Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Alkyl fluorides Organofluorides
Molecular Framework	Not available
Substituents	Isoleucine or derivatives - Alpha-amino acid amide - Coumarin - 1-benzopyran - Benzopyran - N-arylamide - Pyranone - Fatty acyl - Benzenoid - Pyran - Fatty amide - Heteroaromatic compound - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxamide group - Lactone - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Primary aliphatic amine - Organooxygen compound - Primary amine - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

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
InChIKey	XPPJTDCCTDQORL-UXZWUECBSA-N
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

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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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