Basic information
- CAS
38236-39-4- Standard SMILES
C=CC(N[C@@H](C)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCC(=O)c1ccccc1)C(=O)OCC- InChIKey
CNAHJEUMYOJVKF-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)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate
- IUPAC
- 5-O-benzyl 1-O-phenacyl (2S)-2-[[(2S)-2-[[(2S)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]propanoyl]amino]-5-oxo-5-phenylmethoxypentanoyl]amino]pentanedioate
Names & synonyms
Phenacyl N-(1-ethoxycarbonyl-2-propenyl)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate38236-39-4L-Glutamic acid, N-(N-(N-(1-(ethoxycarbonyl)-2-propenyl)-L-alanyl)-L-alpha-glutamyl)-, 1-(2-oxo-2-phenylethyl) 5,5'-bis(phenylmethyl) ester
Database identifiers
- CAS
38236-39-4- PubChem CID
- 148243
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…