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Fluorescent Substrate for Glu-Specific Proteases

CAT: 0804-HY-P3949-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P3949-01Size:1 mg
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Description
Fluorescent Substrate for Glu-Specific Proteases is a V8 protease-Specific chromogenic substrate[1].
CAS Number
143147-75-5
UNSPSC
12352209
Hazard Statement
H315, H319, H335
Target
Fluorescent Dye
Type
Peptides
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/fluorescent-substrate-for-glu-specific-proteases.html
Purity
98.17
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC(C=C1)=C([N+]([O-])=O)C=C1C[C@@H](C(N[C@H](C(O)=O)CC(O)=O)=O)NC([C@@H](NC([C@H](C(C)C)NC([C@H](CCC(O)=O)NC([C@@H](NC([C@H](C)NC([C@@H](NC([C@H](C)NC(C2=C(C=CC=C2)N)=O)=O)CC3=CC=CC=C3)=O)=O)CC4=CC=CC=C4)=O)=O)=O)CC5=CC=CC=C5)=O
Molecular Formula
C63H73N11O18
Molecular Weight
1272.32
Precautions
H315, H319, H335
References & Citations
[1]Qudsi, et al. Development of a novel approach to influence the secretion of pathogenicity factors of Staphylococcus aureus by synthetic peptides. Fr., 04. Mai. 2012.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture and light)
Scientific Category
Peptides
Clinical Information
Phase 4

Chemical Information

Anthranilyl-Ala-Phe-Ala-Phe-Glu-Val-Phe-nitro-Tyr-Asp
CAS Number143147-75-5
PubChem CID166642524
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminobenzoyl)amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoyl]amino]butanedioic acid
Molecular FormulaC63H73N11O18
Molecular Weight1272.3
XLogP5
Topological Polar Surface Area466
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count19
Rotatable Bond Count33
Heavy Atom Count92
Formal Charge0
Complexity2550
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC(=C(C=C4)O)[N+](=O)[O-])C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)C5=CC=CC=C5N
InChI
InChI=1S/C63H73N11O18/c1-34(2)53(62(88)71-46(30-39-20-12-7-13-21-39)60(86)70-47(61(87)72-48(63(89)90)33-52(78)79)31-40-24-26-50(75)49(32-40)74(91)92)73-57(83)43(25-27-51(76)77)67-59(85)45(29-38-18-10-6-11-19-38)69-55(81)36(4)66-58(84)44(28-37-16-8-5-9-17-37)68-54(80)35(3)65-56(82)41-22-14-15-23-42(41)64/h5-24,26,32,34-36,43-48,53,75H,25,27-31,33,64H2,1-4H3,(H,65,82)(H,66,84)(H,67,85)(H,68,80)(H,69,81)(H,70,86)(H,71,88)(H,72,87)(H,73,83)(H,76,77)(H,78,79)(H,89,90)/t35-,36-,43-,44-,45-,46-,47-,48-,53-/m0/s1
InChIKey
GGFWDXWGSVJEBX-XMJIKGBQSA-N
Chemical Structure
2D Structure
2D structure of Anthranilyl-Ala-Phe-Ala-Phe-Glu-Val-Phe-nitro-Tyr-Asp
CAS: 143147-75-5
CID: 166642524
Formula: C63H73N11O18
MW: 1272.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1272.3
XLogP35
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count19
Rotatable Bond Count33
Exact Mass1271.51350452
Monoisotopic Mass1271.51350452
Topological Polar Surface Area466 Ų
Heavy Atom Count92
Formal Charge0
Complexity2550
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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