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113613-52-8 | L-Phenylalanine, N-(4-thiazolidinylcarbonyl)-, (R)- (9CI)
CAS No: 113613-52-8 Catalog No: AG00095N MDL No:
Product Description
Catalog Number:
AG00095N
Chemical Name:
L-Phenylalanine, N-(4-thiazolidinylcarbonyl)-, (R)- (9CI)
CAS Number:
113613-52-8
Molecular Formula:
C13H16N2O3S
Molecular Weight:
280.3427
IUPAC Name:
3-phenyl-2-(1,3-thiazolidine-4-carbonylamino)propanoic acid
InChI:
InChI=1S/C13H16N2O3S/c16-12(11-7-19-8-14-11)15-10(13(17)18)6-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,15,16)(H,17,18)
InChI Key:
CTTPERSQNXLLCO-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H](Cc1ccccc1)NC(=O)C1NCSC1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
280.342g/mol
Monoisotopic Mass:
280.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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