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2-epi-Ramipril

CAT: 0024-sc-477128Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-477128Size:25 mg
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CAS Number
129939-65-7

Chemical Information

(2S,3aS,6aS)-1-((2R)-2-(((1S)-1-(Ethoxycarbonyl)-3-phenylpropyl)amino)propanoyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acid
CAS Number129939-65-7
PubChem CID55688
IUPAC Name(2S,3aS,6aS)-1-[(2R)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
Molecular FormulaC23H32N2O5
Molecular Weight416.5
XLogP1.4
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity619
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O
InChI
InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17+,18+,19+,20+/m1/s1
InChIKey
HDACQVRGBOVJII-HTDHLNIYSA-N
Chemical Structure
2D Structure
2D structure of (2S,3aS,6aS)-1-((2R)-2-(((1S)-1-(Ethoxycarbonyl)-3-phenylpropyl)amino)propanoyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acid
CAS: 129939-65-7
CID: 55688
Formula: C23H32N2O5
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
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

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