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Moveltipril calcium salt

CAT: 0931-T68533-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68533-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
85921-53-5
Target
Others, Angiotensin-converting Enzyme (ACE)
Related Pathways
Metabolism, Others
Bioactivity
Moveltipril calcium salt is an ACE inhibitor.
Smiles
C([C@@H](CSC([C@H](NC(=O)C1CCCCC1)C)=O)C)(=O)N2[C@H](C(O)=O)CCC2.[Ca]
Molecular Formula
C38H58CaN4O10S2
Molecular Weight
835.1
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Moveltipril Calcium
CAS Number85921-53-5
PubChem CID6917881
IUPAC Namecalcium bis((2S)-1-[(2S)-3-[(2R)-2-(cyclohexanecarbonylamino)propanoyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylate)
Molecular FormulaC38H58CaN4O10S2
Molecular Weight835.1
Topological Polar Surface Area264
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Heavy Atom Count55
Formal Charge0
Complexity571
SMILES
C[C@H](CSC(=O)[C@@H](C)NC(=O)C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)[O-].C[C@H](CSC(=O)[C@@H](C)NC(=O)C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)[O-].[Ca+2]
InChI
InChI=1S/2C19H30N2O5S.Ca/c2*1-12(17(23)21-10-6-9-15(21)18(24)25)11-27-19(26)13(2)20-16(22)14-7-4-3-5-8-14;/h2*12-15H,3-11H2,1-2H3,(H,20,22)(H,24,25);/q;;+2/p-2/t2*12-,13-,15+;/m11./s1
InChIKey
CUZMQPZYCDIHQL-VCTVXEGHSA-L
Chemical Structure
2D Structure
2D structure of Moveltipril Calcium
CAS: 85921-53-5
CID: 6917881
Formula: C38H58CaN4O10S2
MW: 835.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight835.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Exact Mass834.3220273
Monoisotopic Mass834.3220273
Topological Polar Surface Area264 Ų
Heavy Atom Count55
Formal Charge0
Complexity571
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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