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140941-12-4

140941-12-4 | L-Methionine, L-alanyl-L-valyl-

CAS No: 140941-12-4 Catalog No: AG001FOF MDL No:

Product Description

Catalog Number:
AG001FOF
Chemical Name:
L-Methionine, L-alanyl-L-valyl-
CAS Number:
140941-12-4
Molecular Formula:
C13H25N3O4S
Molecular Weight:
319.4203
IUPAC Name:
2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C13H25N3O4S/c1-7(2)10(16-11(17)8(3)14)12(18)15-9(13(19)20)5-6-21-4/h7-10H,5-6,14H2,1-4H3,(H,15,18)(H,16,17)(H,19,20)
InChI Key:
XKHLBBQNPSOGPI-UHFFFAOYSA-N
SMILES:
CSCC[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](N)C

Properties

Complexity:
376  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.157g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
319.42g/mol
Monoisotopic Mass:
319.157g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5  

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