Basic information
- Standard SMILES
COC(=O)c1cccc(COC[C@H](C#N)NC(=O)[C@H](Cc2cccc(C)c2)NC(=O)C(c2ccccc2)c2ccccc2)c1- InChIKey
LXZIWFHPXKJKGS-ACHIHNKUSA-N- Molecular formula
- C36H35N3O5
- Average molar mass
- 589.7 g/mol
Names & identifiers
- Preferred name
- N-[2-[(3-(methoxycarbonyl)phenyl)methoxy]-1(S)-cyanoethyl]-3-methyl-Nalpha-(2,2-diphenylacetyl)-L-phenylalaninamide
- IUPAC
- methyl 3-[[(2S)-2-cyano-2-[[(2S)-2-[(2,2-diphenylacetyl)amino]-3-(3-methylphenyl)propanoyl]amino]ethoxy]methyl]benzoate
Names & synonyms
LXZIWFHPXKJKGS-ACHIHNKUSA-NN-[2-[(3-(methoxy-carbonyl)-phenyl)-methoxy]-1(S)-cyanoethyl]-3-methyl-Nalpha-(2,2-diphenylacetyl )-L-phenyl-alaninamideN-[2-[(3-(methoxy-carbonyl)-phenyl)-methoxy]-1(S)-cyanoethyl]-3-methyl-Nalpha-(2,2-diphenylacetyl)-L-phenyl-alaninamideN-[2-[(3-(methoxycarbonyl)phenyl)methoxy]-1(S)-cyanoethyl]-3-methyl-Nalpha-(2,2-diphenylacetyl)-L-phenylalaninamideN-[2-[(3-(methoxycarbonyl)phenyl)methoxy]-l (S)-cyanoethyl]-3-methyl-Nalpha-(2,2-diphenylacetyl)-L-phenylalaninamide
Database identifiers
- PubChem CID
- 86608564
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 948
Related reactions
2 records
Compound notes
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