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Ac-Phe-Gly-pNA

CAT: 0121-4005053.0250Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0121-4005053.0250Size:250 mg
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CAS Number
34336-99-7
Specifications
L-1060.0250
Sequence
Ac-Phe-Gly-pNA
Molecular Formula
C₁₉H₂₀N₄O₅
Molecular Weight
384.39
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

N-Acetylphenylalanylglycine 4-nitroanilide

substrate used to evaluate the stereochemical selectivity of papain; RN given is for cpd containing L-Phe

CAS Number34336-99-7
PubChem CID3082395
IUPAC Name(2S)-2-acetamido-N-[2-(4-nitroanilino)acetyl]-3-phenylpropanamide
Molecular FormulaC19H20N4O5
Molecular Weight384.4
XLogP2.2
Topological Polar Surface Area133
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity563
SMILES
CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(=O)CNC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H20N4O5/c1-13(24)21-17(11-14-5-3-2-4-6-14)19(26)22-18(25)12-20-15-7-9-16(10-8-15)23(27)28/h2-10,17,20H,11-12H2,1H3,(H,21,24)(H,22,25,26)/t17-/m0/s1
InChIKey
JAWBBDSLZGAHMD-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of N-Acetylphenylalanylglycine 4-nitroanilide
CAS: 34336-99-7
CID: 3082395
Formula: C19H20N4O5
MW: 384.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight384.4
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass384.14336975
Monoisotopic Mass384.14336975
Topological Polar Surface Area133 Ų
Heavy Atom Count28
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes