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823803-06-1 | L-Asparagine, N-[[(triphenylmethyl)thio]acetyl]glycyl-
CAS No: 823803-06-1 Catalog No: AG004Y2J MDL No:
Product Description
Catalog Number:
AG004Y2J
Chemical Name:
L-Asparagine, N-[[(triphenylmethyl)thio]acetyl]glycyl-
CAS Number:
823803-06-1
Molecular Formula:
C27H27N3O5S
Molecular Weight:
505.5854
IUPAC Name:
(2S)-4-amino-4-oxo-2-[[2-[(2-tritylsulfanylacetyl)amino]acetyl]amino]butanoic acid
InChI:
InChI=1S/C27H27N3O5S/c28-23(31)16-22(26(34)35)30-24(32)17-29-25(33)18-36-27(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H2,28,31)(H,29,33)(H,30,32)(H,34,35)/t22-/m0/s1
InChI Key:
ADTDKIKJIFPMLG-QFIPXVFZSA-N
SMILES:
O=C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC(=O)N[C@H](C(=O)O)CC(=O)N
Properties
Complexity:
713
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
505.167g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
505.589g/mol
Monoisotopic Mass:
505.167g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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