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88170-96-1 | L-Phenylalanine, 4-[(4-methylphenyl)dithio]-
CAS No: 88170-96-1 Catalog No: AG004CKV MDL No:
Product Description
Catalog Number:
AG004CKV
Chemical Name:
L-Phenylalanine, 4-[(4-methylphenyl)dithio]-
CAS Number:
88170-96-1
Molecular Formula:
C16H17NO2S2
Molecular Weight:
319.4417
IUPAC Name:
(2S)-2-amino-3-[4-[(4-methylphenyl)disulfanyl]phenyl]propanoic acid
InChI:
InChI=1S/C16H17NO2S2/c1-11-2-6-13(7-3-11)20-21-14-8-4-12(5-9-14)10-15(17)16(18)19/h2-9,15H,10,17H2,1H3,(H,18,19)/t15-/m0/s1
InChI Key:
MEOPEVCBPADUPU-HNNXBMFYSA-N
SMILES:
OC(=O)[C@H](Cc1ccc(cc1)SSc1ccc(cc1)C)N
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
319.07g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.437g/mol
Monoisotopic Mass:
319.07g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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