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Met-Enkephalin

CAT: 0024-sc-391915Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-391915Size:25 mg
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CAS Number
58569-55-4

Chemical Information

Metenkefalin

Metenkefalin is an endogenous opioid and beta-endorphin. It has been shown to reduce chromosomal abberations in patients with multiple sclerosis. Metenkefalin, along with [tridecactide], are under investigation as an immunomodulatory therapy for moderate to severe COVID-19.

CAS Number58569-55-4
PubChem CID443363
IUPAC Name(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
Molecular FormulaC27H35N5O7S
Molecular Weight573.7
XLogP-2.1
Topological Polar Surface Area225
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count16
Heavy Atom Count40
Formal Charge0
Complexity847
SMILES
CSCC[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N
InChI
InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1
InChIKey
YFGBQHOOROIVKG-FKBYEOEOSA-N
Chemical Structure
2D Structure
2D structure of Metenkefalin
CAS: 58569-55-4
CID: 443363
Formula: C27H35N5O7S
MW: 573.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight573.7
XLogP3-2.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count16
Exact Mass573.22571965
Monoisotopic Mass573.22571965
Topological Polar Surface Area225 Ų
Heavy Atom Count40
Formal Charge0
Complexity847
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