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Chymostatin B

CAT: 0804-HY-N5182Size: 1 EachDry Ice: NoHazardous: No
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Description
Chymostatin B is a subtype of chymostatin characterized by a valine residue. Chymostatin inhibits chymotrypsin, papain, and other serine/cysteine endopeptidases[1].
CAS Number
51759-77-4
UNSPSC
12352005
Target
Others
Related Pathways
Others
Field of Research
Others
Smiles
O=C(O)[C@H](CC1=CC=CC=C1)NC(N[C@H](C(N[C@@H](C(C)C)C(N[C@H](C=O)CC2=CC=CC=C2)=O)=O)[C@@H]3CCNC(N3)=N)=O
Molecular Formula
C30H39N7O6
Molecular Weight
593.67
References & Citations
[1]Delbaere LT, et al. Structure of the complex formed between the bacterial-produced inhibitor chymostatin and the serine enzyme Streptomyces griseus protease A. J Mol Biol. 1980 May 5;139 (1) :45-51.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

L-2-(2-Amino-1,4,5,6-tetrahydro-4-pyridyl)-N-(((1-carboxyphenethyl)amino)carbonyl)glycyl-N-(1-formylphenethyl)-L-valinamide, stereoisomer

Einecs 257-383-4 is a dipeptide.

CAS Number51759-77-4
PubChem CID103536
IUPAC Name2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[3-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]butan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid
Molecular FormulaC30H39N7O6
Molecular Weight593.7
XLogP1.4
Topological Polar Surface Area204
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count43
Formal Charge0
Complexity993
SMILES
CC(C)C(C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)C(C2CCN=C(N2)N)NC(=O)NC(CC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C30H39N7O6/c1-18(2)24(26(39)33-21(17-38)15-19-9-5-3-6-10-19)36-27(40)25(22-13-14-32-29(31)34-22)37-30(43)35-23(28(41)42)16-20-11-7-4-8-12-20/h3-12,17-18,21-25H,13-16H2,1-2H3,(H,33,39)(H,36,40)(H,41,42)(H3,31,32,34)(H2,35,37,43)
InChIKey
BTAKGODFEIZKSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of L-2-(2-Amino-1,4,5,6-tetrahydro-4-pyridyl)-N-(((1-carboxyphenethyl)amino)carbonyl)glycyl-N-(1-formylphenethyl)-L-valinamide, stereoisomer
CAS: 51759-77-4
CID: 103536
Formula: C30H39N7O6
MW: 593.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight593.7
XLogP31.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass593.29618199
Monoisotopic Mass593.29618199
Topological Polar Surface Area204 Ų
Heavy Atom Count43
Formal Charge0
Complexity993
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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