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89626-03-9 | Glycine, N-L-alanyl-2-(2-pyridinylthio)-
CAS No: 89626-03-9 Catalog No: AG003X01 MDL No:
Product Description
Catalog Number:
AG003X01
Chemical Name:
Glycine, N-L-alanyl-2-(2-pyridinylthio)-
CAS Number:
89626-03-9
Molecular Formula:
C10H13N3O3S
Molecular Weight:
255.2935
IUPAC Name:
2-(2-aminopropanoylamino)-2-pyridin-2-ylsulfanylacetic acid
InChI:
InChI=1S/C10H13N3O3S/c1-6(11)8(14)13-9(10(15)16)17-7-4-2-3-5-12-7/h2-6,9H,11H2,1H3,(H,13,14)(H,15,16)
InChI Key:
AJTNMYMBYYEXHA-UHFFFAOYSA-N
SMILES:
OC(=O)C(Sc1ccccn1)NC(=O)[C@@H](N)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.292g/mol
Monoisotopic Mass:
255.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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