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Basic information
- CAS
74075-33-5- Standard SMILES
O=C(N[C@@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)O)c1ccccc1- InChIKey
WZJFKVHMXBGZBQ-PMACEKPBSA-N- Molecular formula
- C24H26N2O5
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.18417193
Names & identifiers
- Preferred name
- Compound 20
- IUPAC
- (2S)-1-[(5S)-5-benzamido-4-oxo-6-phenylhexanoyl]pyrrolidine-2-carboxylic acid
- English name
- compound 20
- Molecular formula
- C24H26N2O5
- Molecular weight
- 422.47
Names & synonyms
Ketoace74075-33-5Compound 20(5S-5-Benzamido-4-oxo-6-phenylhexanoyl-L-proline)SRI-20L-Proline, 1-(5-(benzoylamino)-1,4-dioxo-6-phenylhexyl)-, (S)-RefChem:918962(2S)-1-[(5S)-5-benzamido-4-oxo-6-phenylhexanoyl]pyrrolidine-2-carboxylic acidCHEMBL435360Sri 20((S)-5-benzamido-4-oxo-6-phenylhexanoyl)-L-prolineorb1985913
Show more names
Sri20L-Proline, 1-[(5S)-5-(benzoylamino)-1,4-dioxo-6-phenylhexyl]-
SCHEMBL17920931-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-pyrrolidine-2-carboxylic acidDTXSID40995522WZJFKVHMXBGZBQ-PMACEKPBSA-NBDBM50027344AKOS040752254T32384(5S)-5-[(N-benzoyl)amino]-4-oxo-6-phenyl-hexanoyl-L-proline
Database identifiers
- CAS
74075-33-5- PubChem CID
- 156271
- DTXSID
DTXSID40995522- ChEMBL
CHEMBL435360- Nikkaji
- J325.457G
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 652
Chemistry & industry
Applications
DescriptionketoACE is an amide bond between Phe-Gly of tripeptide replaced with ketomethylene.
Suppliers1 total
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Related reactions
1 records
Compound notes
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