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Ala-Ala-Phe-AMC TFA

CAT: 0931-T85616-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T85616-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
62037-42-7
Target
Others
Related Pathways
Others
Bioactivity
Ala-Ala-Phe-AMC TFA, the TFA salt form of Ala-Ala-Phe-AMC, is a fluorogenic substrate utilized for determining the activity of tripeptidyl peptidase II (TPPII) [1].
Smiles
C(C(O)=O)(F)(F)F.CC=1C=2C(=CC(NC([C@H](CC3=CC=CC=C3)NC([C@@H](NC([C@H](C)N)=O)C)=O)=O)=CC2)OC(=O)C1
Molecular Formula
C27H29F3N4O7
Molecular Weight
578.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

L-Phenylalaninamide, L-alanyl-L-alanyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, 2,2,2-trifluoroacetate (1:1)
CAS Number62037-42-7
PubChem CID90474162
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-N-(4-methyl-2-oxochromen-7-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid
Molecular FormulaC27H29F3N4O7
Molecular Weight578.5
Topological Polar Surface Area177
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity891
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C)NC(=O)[C@H](C)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C25H28N4O5.C2HF3O2/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;3-2(4,5)1(6)7/h4-11,13,15-16,20H,12,26H2,1-3H3,(H,27,31)(H,28,33)(H,29,32);(H,6,7)/t15-,16-,20-;/m0./s1
InChIKey
IDYHLTXMLQCSTO-ALXYJOKNSA-N
Chemical Structure
2D Structure
2D structure of L-Phenylalaninamide, L-alanyl-L-alanyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, 2,2,2-trifluoroacetate (1:1)
CAS: 62037-42-7
CID: 90474162
Formula: C27H29F3N4O7
MW: 578.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass578.19883376
Monoisotopic Mass578.19883376
Topological Polar Surface Area177 Ų
Heavy Atom Count41
Formal Charge0
Complexity891
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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