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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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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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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
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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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