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Home > Bromides > 199850-67-4

199850-67-4

199850-67-4 | L-Valine, N-[(4'-bromo[1,1'-biphenyl]-4-yl)sulfonyl]-

CAS No: 199850-67-4 Catalog No: AG002CDQ MDL No:MFCD12912437

Product Description

Catalog Number:
AG002CDQ
Chemical Name:
L-Valine, N-[(4'-bromo[1,1'-biphenyl]-4-yl)sulfonyl]-
CAS Number:
199850-67-4
Molecular Formula:
C17H18BrNO4S
Molecular Weight:
412.2981
MDL Number:
MFCD12912437
IUPAC Name:
(2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid
InChI:
InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
InChI Key:
GJOCABIDMCKCEG-INIZCTEOSA-N
SMILES:
Brc1ccc(cc1)c1ccc(cc1)S(=O)(=O)N[C@H](C(=O)O)C(C)C
UNII:
U855L3SOXD

Properties

Complexity:
515  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
411.014g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
412.298g/mol
Monoisotopic Mass:
411.014g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

Literature

Title Journal
Matrix metalloproteinase-2 stimulates collagen-I expression through phosphorylation of focal adhesion kinase in rat cardiac fibroblasts. American journal of physiology. Cell physiology 20121101
Matrix metalloproteinases (MMPs): chemical-biological functions and (Q)SARs. Bioorganic & medicinal chemistry 20070315
Metalloproteinase inhibitor counters high-energy phosphate depletion and AMP deaminase activity enhancing ventricular diastolic compliance in subacute heart failure. The Journal of pharmacology and experimental therapeutics 20060501
Structural insight into the stereoselective inhibition of MMP-8 by enantiomeric sulfonamide phosphonates. Journal of medicinal chemistry 20060209
Peroxynitrite-induced myocardial injury is mediated through matrix metalloproteinase-2. Cardiovascular research 20020101

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