N-Formyl-MMYALF

CAT: 0013-GTR19240486-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19240486-01Size:25 mg

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Description

N-Formyl-MMYALF is a mitochondrial-derived N-formyl peptide (mtFP) that depletes endoplasmic reticulum calcium stores and acts as a formyl peptide receptor-1 (FPR-1) antagonist, inhibiting PMN chemotaxis. It is a useful research tool for studying calcium signaling, innate immunity, and inflammation in both cellular and animal models.

CAS Number

863418-59-1

Field of Research

Infectious Disease & Virology

Smiles

[C@@H] (CC1=CC=C (O) C=C1) (NC ([C@@H] (NC ([C@H] (CCSC) NC=O) =O) CCSC) =O) C (N[C@H] (C (N[C@H] (C (N[C@@H] (CC2=CC=CC=C2) C (O) =O) =O) CC (C) C) =O) C) =O

Molecular Formula

C38H54N6O9S2

Molecular Weight

803

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

N-Formyl-MMYALF

CAS Number	863418-59-1
PubChem CID	24812393
IUPAC Name	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
Molecular Formula	C38H54N6O9S2
Molecular Weight	803.0
XLogP	3.7
Topological Polar Surface Area	283
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	24
Heavy Atom Count	55
Formal Charge	0
Complexity	1250

SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCSC)NC=O

InChI

InChI=1S/C38H54N6O9S2/c1-23(2)19-30(37(51)44-32(38(52)53)21-25-9-7-6-8-10-25)42-33(47)24(3)40-36(50)31(20-26-11-13-27(46)14-12-26)43-35(49)29(16-18-55-5)41-34(48)28(39-22-45)15-17-54-4/h6-14,22-24,28-32,46H,15-21H2,1-5H3,(H,39,45)(H,40,50)(H,41,48)(H,42,47)(H,43,49)(H,44,51)(H,52,53)/t24-,28-,29-,30-,31-,32-/m0/s1

InChIKey

ZCYVFKIIQIAACQ-KNIQQNQGSA-N

Chemical Structure

2D Structure

CAS: 863418-59-1

CID: 24812393

Formula: C38H54N6O9S2

MW: 803.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	803.0
XLogP3	3.7
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	24
Exact Mass	802.33936967
Monoisotopic Mass	802.33936967
Topological Polar Surface Area	283 Å²
Heavy Atom Count	55
Formal Charge	0
Complexity	1250
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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N-Formyl-MMYALF

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