Chymostatin

CAT: 0607-C5589-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-C5589-50Size:50 mg

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Description

chymotryptase-like serine proteases inhibitor

CAS Number

9076-44-2

Product Name Alternative

(2R,6R,9R,12R)-6-((R)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl)-2,12-dibenzyl-9-isobutyl-4,7,10,13-tetraoxo-3,5,8,11-tetraazatridecan-1-oic acid

Field of Research

Proteases Serine Protease

Purity

≥ 95.00% (a mixture of A, B, C)

Form

A crystalline solid

Solubility

≤10mg/ml in DMSO

Smiles

O=C(O)[C@H](NC(N[C@H]([C@H]1CCN=C(N)N1)C(N[C@H](CC(C)C)C(N[C@H](CC2=CC=CC=C2)C=O)=O)=O)=O)CC3=CC=CC=C3

Molecular Formula

C31H41O6N7

Molecular Weight

607.7

Shipping Conditions

Blue ice

Storage Conditions

Store at -20°C.

Chemical Information

Chymostatin

CAS Number	9076-44-2
PubChem CID	443119
IUPAC Name	(2S)-2-[[(1S)-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid
Molecular Formula	C31H41N7O6
Molecular Weight	607.7
XLogP	1.8
Topological Polar Surface Area	204
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	15
Heavy Atom Count	44
Formal Charge	0
Complexity	1010

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C=O)NC(=O)[C@H](C2CCN=C(N2)N)NC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22-,23?,24-,25-,26-/m0/s1

InChIKey

MRXDGVXSWIXTQL-HYHFHBMOSA-N

Chemical Structure

2D Structure

CAS: 9076-44-2

CID: 443119

Formula: C31H41N7O6

MW: 607.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	607.7
XLogP3	1.8
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	15
Exact Mass	607.31183205
Monoisotopic Mass	607.31183205
Topological Polar Surface Area	204 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1010
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
540074	Chymostatin
HY-N5180	Chymostatin A
TYD-03893-01	Chymostatin-CoA
HY-N5182	Chymostatin B
A22812-5	Chymostatin 5mg
GTR19254780-01	Chymostatin C
MBS655345-01	Chymostatin (Actinomycetes)
A22812-1	Chymostatin 1mg

Chymostatin

Chemical Information

Alternative Products

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