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Eglin c (42-45) -methyl ester

CAT: 1410-M39917Size: 1 EachDry Ice: NoHazardous: No
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Description
Eglin c (42-45) -methyl ester
CAS Number
133463-25-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
———
Molecular Formula
———
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Eglin c (42-45)-methyl ester . HCl
CAS Number133463-25-9
PubChem CID90469748
IUPAC Namemethyl (2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanoyl]amino]-4-methylpentanoate
Molecular FormulaC21H38N4O6
Molecular Weight442.5
XLogP1.1
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count31
Formal Charge0
Complexity639
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1)O
InChI
InChI=1S/C21H38N4O6/c1-11(2)10-15(21(30)31-6)23-20(29)17(13(5)26)25-19(28)16(12(3)4)24-18(27)14-8-7-9-22-14/h11-17,22,26H,7-10H2,1-6H3,(H,23,29)(H,24,27)(H,25,28)/t13-,14+,15+,16+,17+/m1/s1
InChIKey
MFZRAYFMAYEDAV-XAJHFOFHSA-N
Chemical Structure
2D Structure
2D structure of Eglin c (42-45)-methyl ester . HCl
CAS: 133463-25-9
CID: 90469748
Formula: C21H38N4O6
MW: 442.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.5
XLogP31.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass442.27913494
Monoisotopic Mass442.27913494
Topological Polar Surface Area146 Ų
Heavy Atom Count31
Formal Charge0
Complexity639
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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abx266158-01Eglin c -methyl ester Peptide
H-8150.0025Eglin c (60-63)-methyl ester
MBS658190-01Eglin c [60-63]-methyl ester
CCP2291-01Eglin c (60-63) -methyl ester
PE-89771-01Eglin C (60-63) -Methyl Ester Peptide
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