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155895-89-9 | L-Alanine, N-[(2S,3R)-2-(mercaptomethyl)-1-oxo-3-phenylbutyl]-
CAS No: 155895-89-9 Catalog No: AG001OBD MDL No:
Product Description
Catalog Number:
AG001OBD
Chemical Name:
L-Alanine, N-[(2S,3R)-2-(mercaptomethyl)-1-oxo-3-phenylbutyl]-
CAS Number:
155895-89-9
Molecular Formula:
C14H19NO3S
Molecular Weight:
281.3706
IUPAC Name:
(2S)-2-[[(2S,3R)-3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid
InChI:
InChI=1S/C14H19NO3S/c1-9(11-6-4-3-5-7-11)12(8-19)13(16)15-10(2)14(17)18/h3-7,9-10,12,19H,8H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-,12-/m0/s1
InChI Key:
ABBSOQIXYPZCKO-NHCYSSNCSA-N
SMILES:
SC[C@@H]([C@H](c1ccccc1)C)C(=O)N[C@H](C(=O)O)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
281.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
281.37g/mol
Monoisotopic Mass:
281.109g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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