IKFQFHFD

CAT: 0931-TP3939-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-TP3939-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2169935-95-7

Target

Antibacterial

Related Pathways

Microbiology/Virology

Bioactivity

IKFQFHFD is a pH-responsive self-assembling peptide. It exhibits biocompatibility at neutral pH and adopts an antimicrobial peptide-like molecular structure only at acidic pH. IKFQFHFD can be used to treat chronic wounds caused by biofilm infections, such as venous ulcers, diabetic ulcers, and pressure sores.

Smiles

[C@@H](CC1=CN=CN1)(NC([C@H](CC2=CC=CC=C2)NC([C@@H](NC([C@H](CC3=CC=CC=C3)NC([C@@H](NC([C@H]([C@H](CC)C)N)=O)CCCCN)=O)=O)CCC(N)=O)=O)=O)C(N[C@@H](CC4=CC=CC=C4)C(N[C@@H](CC(O)=O)C(O)=O)=O)=O

Molecular Formula

C54H72N12O12

Molecular Weight

1081.22

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

H-Ile-Lys-Phe-Gln-Phe-His-Phe-Asp-OH

CAS Number	2169935-95-7
PubChem CID	178203542
IUPAC Name	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]butanedioic acid
Molecular Formula	C54H72N12O12
Molecular Weight	1081.2
XLogP	-3.5
Topological Polar Surface Area	402
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	34
Heavy Atom Count	78
Formal Charge	0
Complexity	1980

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(=O)O)C(=O)O)N

InChI

InChI=1S/C54H72N12O12/c1-3-32(2)46(57)53(76)61-37(21-13-14-24-55)47(70)62-39(25-33-15-7-4-8-16-33)49(72)60-38(22-23-44(56)67)48(71)63-40(26-34-17-9-5-10-18-34)50(73)65-42(28-36-30-58-31-59-36)52(75)64-41(27-35-19-11-6-12-20-35)51(74)66-43(54(77)78)29-45(68)69/h4-12,15-20,30-32,37-43,46H,3,13-14,21-29,55,57H2,1-2H3,(H2,56,67)(H,58,59)(H,60,72)(H,61,76)(H,62,70)(H,63,71)(H,64,75)(H,65,73)(H,66,74)(H,68,69)(H,77,78)/t32-,37-,38-,39-,40-,41-,42-,43-,46-/m0/s1

InChIKey

MSLMTVJRDOHINT-DJSDXJNOSA-N

Chemical Structure

2D Structure

CAS: 2169935-95-7

CID: 178203542

Formula: C54H72N12O12

MW: 1081.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1081.2
XLogP3	-3.5
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	34
Exact Mass	1080.53926578
Monoisotopic Mass	1080.53926578
Topological Polar Surface Area	402 Å²
Heavy Atom Count	78
Formal Charge	0
Complexity	1980
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-P11055	IKFQFHFD

IKFQFHFD

Chemical Information

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