PAC-Phe-Val

CAT: 0013-GTR19274967-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19274967-02Size:50 mg

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Description

PAC-Phe-Val is a potent inhibitor of HIV-1 protease (HIV-1protease) with an IC50 value of 33.10 nM. It forms stable and strong interactions with key active site residues, resulting in high inhibitory efficacy. PAC-Phe-Val is applicable for research in HIV/AIDS.

CAS Number

3088543-72-7

Smiles

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

Molecular Formula

C30H43N4O6P

Molecular Weight

586.67

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

bis[3-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-benzyl-3-oxopropyl]phosphinic acid

CAS Number	3088543-72-7
PubChem CID	176312146
IUPAC Name	bis[3-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-benzyl-3-oxopropyl]phosphinic acid
Molecular Formula	C30H43N4O6P
Molecular Weight	586.7
XLogP	2
Topological Polar Surface Area	182
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	16
Heavy Atom Count	41
Formal Charge	0
Complexity	860

SMILES

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

InChI

InChI=1S/C30H43N4O6P/c1-19(2)25(27(31)35)33-29(37)23(15-21-11-7-5-8-12-21)17-41(39,40)18-24(16-22-13-9-6-10-14-22)30(38)34-26(20(3)4)28(32)36/h5-14,19-20,23-26H,15-18H2,1-4H3,(H2,31,35)(H2,32,36)(H,33,37)(H,34,38)(H,39,40)/t23?,24?,25-,26-/m0/s1

InChIKey

ILQHENQHTAGJDM-HDLCADABSA-N

Chemical Structure

2D Structure

CAS: 3088543-72-7

CID: 176312146

Formula: C30H43N4O6P

MW: 586.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	586.7
XLogP3	2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	16
Exact Mass	586.29202210
Monoisotopic Mass	586.29202210
Topological Polar Surface Area	182 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	860
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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GTR19035223-01	Suc-Val-Pro-Phe-SBzl
GTR19174823-01	MDL-28170 (Z-Val-Phe-CHO)
GTR19225330-01	Mal-Phe-C4-Val-Cit-PAB
GTR19145102-01	D-Val-Phe-Lys-CMK diTFA
GTR19234319-01	Boc-Val-Dil-Dap-Phe-OMe
GTR19036474-01	Cyclo (Arg-Gly-Asp-D-Phe-Val)
GTR19231544-01	Mal-Phe-C4-Val-Cit-PAB-DMEA

Alternative Products

Catalog	Name
M40519	Z-Val-Phe\|Z-Val-Phe-OH
PAA47471-01	Cyclo (Phe-Val)
MBS5788747	Cyclo(Phe-Val)
C-2440.0005	Z-Phe-Val-OH
G-3565.0005	H-Val-Phe-OH
C-2885.0005	Z-Val-Phe-OH
FP108149-01	H-Phe-Val-OH
C-2890.0005	Z-Val-Phe-OMe
T208433-01	Fmoc-Val-Phe-Boc
FF110906-01	FA-Phe-Val-NH2

PAC-Phe-Val

Chemical Information

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