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251571-80-9 | 1-Pentanone, 2-amino-3-methyl-1-(3-thiazolidinyl)-, (2S,3R)-
CAS No: 251571-80-9 Catalog No: AG002QOT MDL No:
Product Description
Catalog Number:
AG002QOT
Chemical Name:
1-Pentanone, 2-amino-3-methyl-1-(3-thiazolidinyl)-, (2S,3R)-
CAS Number:
251571-80-9
Molecular Formula:
C9H18N2OS
Molecular Weight:
202.3170
IUPAC Name:
(2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one
InChI:
InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8+/m1/s1
InChI Key:
WCRLBFHWFPELKW-SFYZADRCSA-N
SMILES:
CC[C@H]([C@@H](C(=O)N1CSCC1)N)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
202.114g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.316g/mol
Monoisotopic Mass:
202.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Dipeptide boronic acid inhibitors of dipeptidyl peptidase IV: determinants of potency and in vivo efficacy and safety. | Journal of medicinal chemistry 20081009 |
| Discovery of potent and selective phenylalanine based dipeptidyl peptidase IV inhibitors. | Bioorganic & medicinal chemistry letters 20050516 |
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