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Cvs 738

CAT: 0013-GTR19199341-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199341-02Size:50 mg
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Description
CVS 738 is an orally active, desmethyl derivative of the thrombin inhibitor CVS 1123. This small molecule is utilized in research to study coagulation pathways and thrombotic disorders, with applications in both in vitro biochemical assays and in vivo pharmacological models.
CAS Number
151275-15-9
Field of Research
Metabolism Research
Smiles
C ([C@@H] (NC (C (CCC) CCC) =O) CC (O) =O) (=O) N1[C@H] (C (N[C@@H] (CCCNC (=N) N) C=O) =O) CCC1
Molecular Formula
C23H40N6O6
Molecular Weight
496.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cvs 738

structure in first source

CAS Number151275-15-9
PubChem CID132930
IUPAC Name(3S)-4-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carbonyl]amino]-4-oxo-3-(2-propylpentanoylamino)butanoic acid
Molecular FormulaC23H40N6O6
Molecular Weight496.6
XLogP-1.9
Topological Polar Surface Area197
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Heavy Atom Count35
Formal Charge0
Complexity764
SMILES
CCCC(CCC)C(=O)N[C@@H](CC(=O)O)C(=O)NC(=O)[C@@H]1CCCN1[C@@H](CCCN=C(N)N)C=O
InChI
InChI=1S/C23H40N6O6/c1-3-7-15(8-4-2)20(33)27-17(13-19(31)32)21(34)28-22(35)18-10-6-12-29(18)16(14-30)9-5-11-26-23(24)25/h14-18H,3-13H2,1-2H3,(H,27,33)(H,31,32)(H4,24,25,26)(H,28,34,35)/t16-,17-,18-/m0/s1
InChIKey
CRHKGQIDYFCEIW-BZSNNMDCSA-N
Chemical Structure
2D Structure
2D structure of Cvs 738
CAS: 151275-15-9
CID: 132930
Formula: C23H40N6O6
MW: 496.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.6
XLogP3-1.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Exact Mass496.30093302
Monoisotopic Mass496.30093302
Topological Polar Surface Area197 Ų
Heavy Atom Count35
Formal Charge0
Complexity764
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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