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Pepsinostreptin

CAT: 0804-HY-P1998Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-P1998Size:1 Each
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Description
Pepsinostreptin is an enzyme inhibitor with the activity of inhibiting pepsin. Pepsinostreptin can form a 1:1 complex with pepsin and significantly inhibit its activity. The activity of pepsinostreptin makes it have important application potential in the study of protease inhibition and related biological processes[1].
CAS Number
51724-57-3
UNSPSC
12352211
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/pepsinostreptin.html
Smiles
C[C@H](NC(C[C@H](O)[C@@H](NC([C@@H](NC([C@@H](NC(C(C)C)=O)C(C)C)=O)C(C)C)=O)CC(C)C)=O)C(N[C@H]([C@@H](O)CC(O)=O)CC(C)C)=O
Molecular Formula
C33H61N5O9
Molecular Weight
671.87
References & Citations
[1]Lower homologues of ahpatinin, aspartic protease inhibitors, from a marine Streptomyces sp
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Pepsinostreptin

Pepsinostreptin is a peptide.

CAS Number51724-57-3
PubChem CID5462499
IUPAC Name(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(2-methylpropanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
Molecular FormulaC33H61N5O9
Molecular Weight671.9
XLogP2.8
Topological Polar Surface Area223
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Heavy Atom Count47
Formal Charge0
Complexity1050
SMILES
C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)O)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C(C)C)O
InChI
InChI=1S/C33H61N5O9/c1-16(2)12-22(36-32(46)28(18(5)6)38-33(47)29(19(7)8)37-30(44)20(9)10)24(39)14-26(41)34-21(11)31(45)35-23(13-17(3)4)25(40)15-27(42)43/h16-25,28-29,39-40H,12-15H2,1-11H3,(H,34,41)(H,35,45)(H,36,46)(H,37,44)(H,38,47)(H,42,43)/t21-,22-,23-,24-,25-,28-,29-/m0/s1
InChIKey
QNPQJKICJQEMBY-DAOOESDTSA-N
Chemical Structure
2D Structure
2D structure of Pepsinostreptin
CAS: 51724-57-3
CID: 5462499
Formula: C33H61N5O9
MW: 671.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight671.9
XLogP32.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Exact Mass671.44692854
Monoisotopic Mass671.44692854
Topological Polar Surface Area223 Ų
Heavy Atom Count47
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5775670Pepsinostreptin

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