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88170-95-0 | L-Phenylalanine, 4-(butyldithio)-
CAS No: 88170-95-0 Catalog No: AG004CKW MDL No:
Product Description
Catalog Number:
AG004CKW
Chemical Name:
L-Phenylalanine, 4-(butyldithio)-
CAS Number:
88170-95-0
Molecular Formula:
C13H19NO2S2
Molecular Weight:
285.4255
IUPAC Name:
(2S)-2-amino-3-[4-(butyldisulfanyl)phenyl]propanoic acid
InChI:
InChI=1S/C13H19NO2S2/c1-2-3-8-17-18-11-6-4-10(5-7-11)9-12(14)13(15)16/h4-7,12H,2-3,8-9,14H2,1H3,(H,15,16)/t12-/m0/s1
InChI Key:
FAXNMTUMDMFTFY-LBPRGKRZSA-N
SMILES:
CCCCSSc1ccc(cc1)C[C@@H](C(=O)O)N
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
285.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.42g/mol
Monoisotopic Mass:
285.086g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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