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117076-27-4 | 4-Thiazolecarboxylic acid, 2-[(1R)-2-methyl-1-[[(phenylmethoxy)carbonyl]amino]propyl]-, ethyl ester
CAS No: 117076-27-4 Catalog No: AG000DNU MDL No:
Product Description
Catalog Number:
AG000DNU
Chemical Name:
4-Thiazolecarboxylic acid, 2-[(1R)-2-methyl-1-[[(phenylmethoxy)carbonyl]amino]propyl]-, ethyl ester
CAS Number:
117076-27-4
Molecular Formula:
C18H22N2O4S
Molecular Weight:
362.4433
IUPAC Name:
2-amino-3-methylbutanoic acid;1,3-thiazole
InChI:
InChI=1S/C5H11NO2.C3H3NS/c1-3(2)4(6)5(7)8;1-2-5-3-4-1/h3-4H,6H2,1-2H3,(H,7,8);1-3H
InChI Key:
DZMIJMVVPXRENP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)[C@@H](C(C)C)NC(=O)OCc1ccccc1
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.078g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.272g/mol
Monoisotopic Mass:
202.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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