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Delapril

CAT: 1596-AR-D06743-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D06743-02Size:25 Units
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CAS Number
83435-66-9
Molecular Formula
C26H32N2O5
Molecular Weight
452.55
API Name
Delapril

Chemical Information

Delapril

Delapril is a peptide.

CAS Number83435-66-9
PubChem CID5362116
IUPAC Name2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]amino]acetic acid
Molecular FormulaC26H32N2O5
Molecular Weight452.5
XLogP1.7
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count33
Formal Charge0
Complexity649
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N(CC(=O)O)C2CC3=CC=CC=C3C2
InChI
InChI=1S/C26H32N2O5/c1-3-33-26(32)23(14-13-19-9-5-4-6-10-19)27-18(2)25(31)28(17-24(29)30)22-15-20-11-7-8-12-21(20)16-22/h4-12,18,22-23,27H,3,13-17H2,1-2H3,(H,29,30)/t18-,23-/m0/s1
InChIKey
WOUOLAUOZXOLJQ-MBSDFSHPSA-N
Chemical Structure
2D Structure
2D structure of Delapril
CAS: 83435-66-9
CID: 5362116
Formula: C26H32N2O5
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass452.23112213
Monoisotopic Mass452.23112213
Topological Polar Surface Area95.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
561619Delapril
HY-107337-01Delapril (hydrochloride)
273651-01DelapRil HCl
TRC-D459930-5MGDelapril Hydrochloride
GTR19161513-01Delapril?Hydrochloride
MBS3606091-01Delapril Hydrochloride
HY-107337S-01Delapril-d3 (hydrochloride)

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