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88170-97-2 | L-Phenylalanine, 4-[[(acetylamino)methyl]thio]-
CAS No: 88170-97-2 Catalog No: AG004CKU MDL No:
Product Description
Catalog Number:
AG004CKU
Chemical Name:
L-Phenylalanine, 4-[[(acetylamino)methyl]thio]-
CAS Number:
88170-97-2
Molecular Formula:
C12H16N2O3S
Molecular Weight:
268.3320
IUPAC Name:
(2S)-3-[4-(acetamidomethylsulfanyl)phenyl]-2-aminopropanoic acid
InChI:
InChI=1S/C12H16N2O3S/c1-8(15)14-7-18-10-4-2-9(3-5-10)6-11(13)12(16)17/h2-5,11H,6-7,13H2,1H3,(H,14,15)(H,16,17)/t11-/m0/s1
InChI Key:
YGHVOUDNIVATKQ-NSHDSACASA-N
SMILES:
CC(=O)NCSc1ccc(cc1)C[C@@H](C(=O)O)N
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
268.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
268.331g/mol
Monoisotopic Mass:
268.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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