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877474-63-0 | L-Alanine, N-[[(triphenylmethyl)thio]acetyl]-
CAS No: 877474-63-0 Catalog No: AG004IMK MDL No:
Product Description
Catalog Number:
AG004IMK
Chemical Name:
L-Alanine, N-[[(triphenylmethyl)thio]acetyl]-
CAS Number:
877474-63-0
Molecular Formula:
C24H23NO3S
Molecular Weight:
405.5093
IUPAC Name:
(2S)-2-[(2-tritylsulfanylacetyl)amino]propanoic acid
InChI:
InChI=1S/C24H23NO3S/c1-18(23(27)28)25-22(26)17-29-24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18H,17H2,1H3,(H,25,26)(H,27,28)/t18-/m0/s1
InChI Key:
NIYVUVWUEBFRJV-SFHVURJKSA-N
SMILES:
C[C@@H](C(=O)O)NC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
405.14g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
405.512g/mol
Monoisotopic Mass:
405.14g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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