Home Other Building Blocks H-Nle-OBzl.TosOH

H-Nle-OBzl.TosOH

CAS No.:
63219-55-6
Catalog Number:
AG00EJSZ
Molecular Formula:
C20H27NO5S
Molecular Weight:
393.4971
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Product Description
Catalog Number:
AG00EJSZ
Chemical Name:
H-Nle-OBzl.TosOH
CAS Number:
63219-55-6
Molecular Formula:
C20H27NO5S
Molecular Weight:
393.4971
MDL Number:
MFCD27957345
IUPAC Name:
benzyl (2S)-2-aminohexanoate;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C13H19NO2.C7H8O3S/c1-2-3-9-12(14)13(15)16-10-11-7-5-4-6-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,12H,2-3,9-10,14H2,1H3;2-5H,1H3,(H,8,9,10)/t12-;/m0./s1
InChI Key:
XJHIQHCDQIIQCQ-YDALLXLXSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.CCCC[C@@H](C(=O)OCc1ccccc1)N
Properties
Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
393.161g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
393.498g/mol
Monoisotopic Mass:
393.161g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties