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For-Nle-Leu-Phe-OH

CAT: 0926-FF108863-01Size: 0.05 gDry Ice: NoHazardous: No
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CAT#:0926-FF108863-01Size:0.05 g
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CAS Number
61864-82-2
MDL Number
MFCD00057578
Smiles
CCCC[C@@H] (C (=O) N[C@@H] (CC (C) C) C (=O) N[C@@H] (CC1=CC=CC=C1) C (=O) O) NC=O
Molecular Formula
C22H33N3O5
Molecular Weight
419.51 g/mol
Controlled
No

Chemical Information

N-Formylnorleucyl-leucyl-4-phenylalanine

used to demonstrate the specific binding of chemotactic peptides to receptors in rabbit neutrophils

CAS Number61864-82-2
PubChem CID119508
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-formamidohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
Molecular FormulaC22H33N3O5
Molecular Weight419.5
XLogP2.3
Topological Polar Surface Area125
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count30
Formal Charge0
Complexity561
SMILES
CCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC=O
InChI
InChI=1S/C22H33N3O5/c1-4-5-11-17(23-14-26)20(27)24-18(12-15(2)3)21(28)25-19(22(29)30)13-16-9-7-6-8-10-16/h6-10,14-15,17-19H,4-5,11-13H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)(H,29,30)/t17-,18-,19-/m0/s1
InChIKey
ZNPUQLFXFVLCID-FHWLQOOXSA-N
Chemical Structure
2D Structure
2D structure of N-Formylnorleucyl-leucyl-4-phenylalanine
CAS: 61864-82-2
CID: 119508
Formula: C22H33N3O5
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP32.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass419.24202116
Monoisotopic Mass419.24202116
Topological Polar Surface Area125 Ų
Heavy Atom Count30
Formal Charge0
Complexity561
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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