Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate
Basic information
- CAS
38236-43-0- Standard SMILES
C=CC(N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)OCC(=O)c1ccccc1)C(=O)OCC- InChIKey
PZROWVJBPHOOSX-XOECJQCUSA-N- Molecular formula
- C41H47N3O11
- Average molar mass
- 757.8 g/mol
- Monoisotopic mass
- 757.32105932
Names & identifiers
- Preferred name
- Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate
- IUPAC
- benzyl (4S)-5-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-1-phenacyloxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-4-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-5-oxopentanoate
Names & synonyms
38236-43-0Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninateDTXSID90959179L-Alanine, N-(N-(N-(1-(ethoxycarbonyl)-2-propenyl)-L-alpha-glutamyl)-L-alpha-glutamyl)-, 1-(2-oxo-2-phenylethyl) 5,5'-bis(phenylmethyl) ester(2S)-5-(Benzyloxy)-2-({(2S)-5-(benzyloxy)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-1-hydroxy-5-oxopentylidene}amino)-5-oxo-N-[(2S)-1-oxo-1-(2-oxo-2-phenylethoxy)propan-2-yl]pentanimidic acid5-(Benzyloxy)-2-({5-(benzyloxy)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-1-hydroxy-5-oxopentylidene}amino)-5-oxo-N-[1-oxo-1-(2-oxo-2-phenylethoxy)propan-2-yl]pentanimidic acid
Database identifiers
- CAS
38236-43-0- PubChem CID
- 148244
- DTXSID
DTXSID90959179
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 27
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,270
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