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89021-97-6

89021-97-6 | L-Leucine, N-[4-mercapto-1-oxo-2-(phenylmethyl)butyl]-

CAS No: 89021-97-6 Catalog No: AG0044CU MDL No:

Product Description

Catalog Number:
AG0044CU
Chemical Name:
L-Leucine, N-[4-mercapto-1-oxo-2-(phenylmethyl)butyl]-
CAS Number:
89021-97-6
Molecular Formula:
C17H25NO3S
Molecular Weight:
323.4503
IUPAC Name:
2-[(2-benzyl-4-sulfanylbutanoyl)amino]-4-methylpentanoic acid
InChI:
InChI=1S/C17H25NO3S/c1-12(2)10-15(17(20)21)18-16(19)14(8-9-22)11-13-6-4-3-5-7-13/h3-7,12,14-15,22H,8-11H2,1-2H3,(H,18,19)(H,20,21)
InChI Key:
AEAQRBJOXYGLRE-UHFFFAOYSA-N
SMILES:
SCCC(C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1

Properties

Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.156g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
323.451g/mol
Monoisotopic Mass:
323.156g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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