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89625-86-5 | Glycine, N-L-alanyl-2-(2-benzothiazolylmethoxy)-
CAS No: 89625-86-5 Catalog No: AG003WPO MDL No:
Product Description
Catalog Number:
AG003WPO
Chemical Name:
Glycine, N-L-alanyl-2-(2-benzothiazolylmethoxy)-
CAS Number:
89625-86-5
Molecular Formula:
C13H15N3O4S
Molecular Weight:
309.3409
IUPAC Name:
2-(2-aminopropanoylamino)-2-(1,3-benzothiazol-2-ylmethoxy)acetic acid
InChI:
InChI=1S/C13H15N3O4S/c1-7(14)11(17)16-12(13(18)19)20-6-10-15-8-4-2-3-5-9(8)21-10/h2-5,7,12H,6,14H2,1H3,(H,16,17)(H,18,19)
InChI Key:
DUWRAAYKTOOXTM-UHFFFAOYSA-N
SMILES:
OC(=O)C(NC(=O)[C@@H](N)C)OCc1nc2c(s1)cccc2
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
309.34g/mol
Monoisotopic Mass:
309.078g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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