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Chymostatin C

CAT: 0013-GTR19254780-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254780-01Size:10 mg
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Description
Chymostatin C is a variant of Chymostatin, distinguished by the presence of an isoleucine residue. Chymostatin inhibits chymotrypsin, papain, and other serine/cysteine endopeptidases.
CAS Number
51759-78-5
Smiles
O=CC (NC (=O) C (NC (=O) C (NC (=O) NC (C (=O) O) CC=1C=CC=CC1) C2NC (=NCC2) N) C (C) CC) CC=3C=CC=CC3
Molecular Formula
C31H41N7O6
Molecular Weight
607.701
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Einecs 257-385-5
CAS Number51759-78-5
PubChem CID103537
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]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid
Molecular FormulaC31H41N7O6
Molecular Weight607.7
XLogP1.8
Topological Polar Surface Area204
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Heavy Atom Count44
Formal Charge0
Complexity1010
SMILES
CCC(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/C31H41N7O6/c1-3-19(2)25(27(40)34-22(18-39)16-20-10-6-4-7-11-20)37-28(41)26(23-14-15-33-30(32)35-23)38-31(44)36-24(29(42)43)17-21-12-8-5-9-13-21/h4-13,18-19,22-26H,3,14-17H2,1-2H3,(H,34,40)(H,37,41)(H,42,43)(H3,32,33,35)(H2,36,38,44)
InChIKey
OLVPQBGMUGIKIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Einecs 257-385-5
CAS: 51759-78-5
CID: 103537
Formula: C31H41N7O6
MW: 607.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight607.7
XLogP31.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Exact Mass607.31183205
Monoisotopic Mass607.31183205
Topological Polar Surface Area204 Ų
Heavy Atom Count44
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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