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Pyr-Phe-Leu-pNA

CAT: 0926-SPL-3130-01Size: 0.1 gDry Ice: NoHazardous: No
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CAT#:0926-SPL-3130-01Size:0.1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
85901-57-1
Synonyms
L-Pyroglutamyl-L-Phenylalanyl-L-Leucine-p-Nitroanilide
Smiles
CC (C) CC (C (=O) NC1=CC=C (C=C1) [N+] (=O) [O-]) NC (=O) C (CC2=CC=CC=C2) NC (=O) C3CCC (=O) N3
Molecular Formula
C26H31N5O6
Molecular Weight
509.55 g/mol
Controlled
No

Chemical Information

Pyroglutamyl-phenylalanyl-leucine-4-nitroanilide

chromogenic substrate for thiol proteinase assay; RN given refers to all (L)-isomer

CAS Number85901-57-1
PubChem CID135114
IUPAC Name(2S)-N-[(2S)-1-[[(2S)-4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular FormulaC26H31N5O6
Molecular Weight509.6
XLogP2.8
Topological Polar Surface Area162
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity830
SMILES
CC(C)C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCC(=O)N3
InChI
InChI=1S/C26H31N5O6/c1-16(2)14-21(25(34)27-18-8-10-19(11-9-18)31(36)37)29-26(35)22(15-17-6-4-3-5-7-17)30-24(33)20-12-13-23(32)28-20/h3-11,16,20-22H,12-15H2,1-2H3,(H,27,34)(H,28,32)(H,29,35)(H,30,33)/t20-,21-,22-/m0/s1
InChIKey
NLVMZXVGZDVXDA-FKBYEOEOSA-N
Chemical Structure
2D Structure
2D structure of Pyroglutamyl-phenylalanyl-leucine-4-nitroanilide
CAS: 85901-57-1
CID: 135114
Formula: C26H31N5O6
MW: 509.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight509.6
XLogP32.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass509.22743373
Monoisotopic Mass509.22743373
Topological Polar Surface Area162 Ų
Heavy Atom Count37
Formal Charge0
Complexity830
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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