Products for Research Use Only
RegisterLogin

Trandolaprilat Methyl Ester

CAT: 0024-sc-473241Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-473241Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
118194-41-5

Chemical Information

Trandolaprilat methyl ester
CAS Number118194-41-5
PubChem CID11984465
IUPAC Name(2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-methoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Molecular FormulaC23H32N2O5
Molecular Weight416.5
XLogP1.6
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity619
SMILES
C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C23H32N2O5/c1-15(24-18(23(29)30-2)13-12-16-8-4-3-5-9-16)21(26)25-19-11-7-6-10-17(19)14-20(25)22(27)28/h3-5,8-9,15,17-20,24H,6-7,10-14H2,1-2H3,(H,27,28)/t15-,17+,18-,19-,20-/m0/s1
InChIKey
QUDOFHJAZMIEDX-ZDNSCYFHSA-N
Chemical Structure
2D Structure
2D structure of Trandolaprilat methyl ester
CAS: 118194-41-5
CID: 11984465
Formula: C23H32N2O5
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass416.23112213
Monoisotopic Mass416.23112213
Topological Polar Surface Area95.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-474499Trandolaprilat
sc-213062Trandolaprilat Monohydrate
sc-473318Trandolaprilat Diketopiperazine
sc-220286Trandolaprilat-phenyl-d5
sc-473237Trandolaprilat-d3 Monohydrate
sc-473278Trandolaprilat-d5 Diketopiperazine
sc-483471Methyl Acrylamidoglycolate Methyl Ester
sc-220285Trandolaprilat Acyl-β-D-glucuronide, 65%
sc-396080Fluvastatin Methyl Ester
sc-207246Aceclofenac Methyl Ester

Alternative Products

CatalogName
TRC-T713530-2MGTrandolaprilat Methyl Ester
467766-01Trandolaprilat 2-Benzyl Ester 1’-Methyl Ester
CDA40203-01Methyl acrylamidoglycolate methyl ester
RM-S132240-01Simvastatin Hydroxy Acid Methyl Ester; Tenivastatin Methyl Ester
M3519-10Methyl ß-Neuraminic Acid, Methyl Ester (Neuraminic Acid, ß-Methylglycoside, Methyl Ester)
CS-O-06030Cetirizine Methyl Ester
CS-O-07098Diclofenac Methyl Ester
HY-Z4185-01Rebamipide methyl ester
ZWB53711Amineptine methyl ester
HY-126084Carbaprostacyclin methyl ester

Popular Products