Rev 5975
Basic information
- CAS
101820-46-6- Standard SMILES
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)Cc1ccccc1- InChIKey
IKWSMOBSRGJBSI-RXVVDRJESA-N- Molecular formula
- C24H30N2O5
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.21547206
Overview
structure given in first source; RN given refers to parent cpd
Names & identifiers
- Preferred name
- Rev 5975
- IUPAC
- 2-[benzyl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]amino]acetic acid
- English name
- REV 5975
- Molecular formula
- C24H30N2O5
- Molecular weight
- 426.51
Names & synonyms
Rev 5975101820-46-6Rev-5975RefChem:179014N-(N-(1 (Ethoxycarbonyl)-3-phenylpropyl)alanyl)-N-(phenylmethyl)glycine2-[benzyl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]amino]acetic acidGlycine, N-[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl-N-(phenylmethyl)-orb1701701SCHEMBL29394564DTXSID70906646AKOS030602389N-benzyl-N-(((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)-L-alanyl)glycine
Show more names
DA-67175HY-113681CS-0062896T26065N-(1-Ethoxy-1-oxo-4-phenylbutan-2-yl)alanyl-N-benzylglycineN-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-L-alanyl-N-benzylglycine2-((S)-N-Benzyl-2-(((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanamido)acetic acidGlycine, N-(N-(1-(ethoxycarbonyl)-3-phenylpropyl)-L-alanyl)-N-(phenylmethyl)-, (S)-
Database identifiers
- CAS
101820-46-6- PubChem CID
- 127983
- DTXSID
DTXSID70906646
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 570
Physicochemical properties
- Boiling point
- 623.1 · 623.1±55.0 °C(Predicted)
- Density
- 1.184 · 1.184±0.06 g/cm3(Predicted)
- pka
- 3.11 · 3.11±0.10(Predicted)
Chemistry & industry
Applications
DescriptionRev 5975 is a non-sulfhydryl containing ACE-inhibitor.
UsesREV 5975 is a angiotensin converting enzyme (ACE) inhibitor. REV 5975 shows a partial reduction of the angiotensin I effect[1].
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Compound notes
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