Basic information
- Standard SMILES
COc1ccc(CSC(CN[C@@H](C)C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1- InChIKey
VLERWOWZKZIHIF-FSTKWRQJSA-N- Molecular formula
- C37H47N3O5S
- Average molar mass
- 645.9 g/mol
- Monoisotopic mass
- 645.32364278
Names & identifiers
- Preferred name
- 1-[N-[(3S)-3-(Benzoylamino)-2-[[(4-methoxyphenyl)methyl]thio]-4-phenylbutyl]-L-alanyl]-L-proline, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl (2S)-1-[(2S)-2-[[(3S)-3-benzamido-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenylbutyl]amino]propanoyl]pyrrolidine-2-carboxylate
Names & synonyms
VLERWOWZKZIHIF-FSTKWRQJSA-N1-[N-[(3S)-3-(Benzoylamino)-2-[[(4-methoxyphenyl)methyl]thio]-4-phenylbutyl]-L-alanyl]-L-proline, 1,1-dimethylethyl ester
Database identifiers
- PubChem CID
- 13501902
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 953
Related reactions
1 records
Compound notes
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