Phepropeptin A

CAT: 0013-GTR19241098-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19241098-03Size:100 mg

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Description

Phepropeptin A is a microbial secondary metabolite that acts as a proteasome inhibitor with an IC50 of 21 μg/mL. This compound is used in biochemical research to study proteasome function and has been applied in both in vitro and in vivo models investigating protein degradation pathways.

CAS Number

396729-23-0

Field of Research

Protein Biochemistry

Smiles

O=C1N2[C@] (C (=O) N[C@@H] (CC (C) C) C (=O) N[C@H] (CC (C) C) C (=O) N[C@@H] ([C@H] (C) C) C (=O) N[C@@H] (CC (C) C) C (=O) N[C@@H]1CC3=CC=CC=C3) (CCC2) [H]

Molecular Formula

C37H58N6O6

Molecular Weight

682.89

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Phepropeptin A

Phepropeptin A is an oligopeptide.

CAS Number	396729-23-0
PubChem CID	11039712
IUPAC Name	(3R,6S,9S,12R,15S,18S)-3-benzyl-6,12,15-tris(2-methylpropyl)-9-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Molecular Formula	C37H58N6O6
Molecular Weight	682.9
XLogP	5.3
Topological Polar Surface Area	166
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	49
Formal Charge	0
Complexity	1170

SMILES

CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)CC3=CC=CC=C3)CC(C)C)C(C)C)CC(C)C

InChI

InChI=1S/C37H58N6O6/c1-21(2)17-26-32(44)38-28(19-23(5)6)34(46)42-31(24(7)8)36(48)40-27(18-22(3)4)33(45)41-29(20-25-13-10-9-11-14-25)37(49)43-16-12-15-30(43)35(47)39-26/h9-11,13-14,21-24,26-31H,12,15-20H2,1-8H3,(H,38,44)(H,39,47)(H,40,48)(H,41,45)(H,42,46)/t26-,27-,28+,29+,30-,31-/m0/s1

InChIKey

QVOWLQGIVUTHGK-ZAFXZDQFSA-N

Chemical Structure

2D Structure

CAS: 396729-23-0

CID: 11039712

Formula: C37H58N6O6

MW: 682.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	682.9
XLogP3	5.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	682.44178359
Monoisotopic Mass	682.44178359
Topological Polar Surface Area	166 Å²
Heavy Atom Count	49
Formal Charge	0
Complexity	1170
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

Alternative Products

Catalog	Name
HY-N14927	Phepropeptin A
HY-N14940	Phepropeptin D
T203422-01	Phepropeptin C
HY-N14928	Phepropeptin B

Phepropeptin A

Chemical Information

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