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69734-02-7 | 5-carbamimidamido-2-(sulfanylmethyl)pentanoic acid
CAS No: 69734-02-7 Catalog No: AG005IDH MDL No:
Product Description
Catalog Number:
AG005IDH
Chemical Name:
5-carbamimidamido-2-(sulfanylmethyl)pentanoic acid
CAS Number:
69734-02-7
Molecular Formula:
C7H15N3O2S
Molecular Weight:
205.2779
IUPAC Name:
5-(diaminomethylideneamino)-2-(sulfanylmethyl)pentanoic acid
InChI:
InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)
InChI Key:
JOVIPJZDTSYNNW-UHFFFAOYSA-N
SMILES:
SCC(C(=O)O)CCCNC(=N)N
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.088g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
205.276g/mol
Monoisotopic Mass:
205.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| Discovery of potent & selective inhibitors of activated thrombin-activatable fibrinolysis inhibitor for the treatment of thrombosis. | Journal of medicinal chemistry 20071129 |
| 3-Mercaptopropionic acids as efficacious inhibitors of activated thrombin activatable fibrinolysis inhibitor (TAFIa). | Bioorganic & medicinal chemistry letters 20070301 |
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