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159856-00-5 | L-Leucine, N-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-
CAS No: 159856-00-5 Catalog No: AG001RG4 MDL No:MFCD05866558
Product Description
Catalog Number:
AG001RG4
Chemical Name:
L-Leucine, N-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-
CAS Number:
159856-00-5
Molecular Formula:
C16H25NO4S
Molecular Weight:
327.4390
MDL Number:
MFCD05866558
IUPAC Name:
2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanoic acid
InChI:
InChI=1S/C16H25NO4S/c1-11(2)10-14(15(18)19)17-22(20,21)13-8-6-12(7-9-13)16(3,4)5/h6-9,11,14,17H,10H2,1-5H3,(H,18,19)
InChI Key:
KIHKHDNNXJYSLK-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)C
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.15g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.439g/mol
Monoisotopic Mass:
327.15g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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