AG00EBFB

62037-41-6 | H-Ala-Ala-Phe-Amc

AG00EBFB

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CAS Number	62037-41-6
Catalog Number	AG00EBFB(AGN-PC-04QO1I)
Chemical Name	H-Ala-Ala-Phe-Amc
IUPAC Name	2-[2-(2-aminopropanoylamino)propanoylamino]-N-(4-methyl-2-oxochromen-7-yl)-3-phenylpropanamide
InChI	InChI=1S/C25H28N4O5/c1-14-11-22(30)34-21-13-18(9-10-19(14)21)28-25(33)20(12-17-7-5-4-6-8-17)29-24(32)16(3)27-23(31)15(2)26/h4-11,13,15-16,20H,12,26H2,1-3H3,(H,27,31)(H,28,33)(H,29,32)
InChI Key	FVRLYIFIDKXFHU-UHFFFAOYSA-N
MDL Number	MFCD00070149
Molecular Formula	C25H28N4O5
Molecular Weight	464.5136
SMILES	CC(C1=CC=C(NC([C@@H](NC([C@H](C)NC([C@@H](N)C)=O)=O)CC2=CC=CC=C2)=O)C=C1O3)=CC3=O
Synonyms	Ala-Ala-Phe-7-amido-4-methylcoumarin, L-Alanyl-L-alanyl-L-phenylalanine 7-amido-4-methylcoumarin, 62037-41-6, H-Ala-Ala-Phe-Amc, AC1NCV6G, CTK8G0480, DTXSID80404325, AKOS030255641, Ala-Ala-Phe-7-amido-4-methylcoumarin, protease substrate, 2-[2-(2-aminopropanoylamino)propanoylamino]-N-(4-methyl-2-oxochromen-7-yl)-3-phenylpropanamide, CID4565201, 2-[2-(2-aminopropanoylamino)propanoylamino]-N-(4-methyl-2-oxo-chromen-7-yl)-3-phenyl-propanamide,

Complexity	807
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	464.206g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	464.522g/mol
Monoisotopic Mass	464.206g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	140A^2
Undefined Atom Stereocenter Count	3
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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