N-Acetyl-tyrosinyl-valinyl-(4-phenoxy)proline Methyl Ester
Basic information
- Standard SMILES
COC(=O)[C@@H]1CC(Oc2ccccc2)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C- InChIKey
UXRWDKQRYTZQQK-ZDZYZNPZSA-N- Molecular formula
- C28H35N3O7
- Average molar mass
- 525.6 g/mol
Names & identifiers
- Preferred name
- N-Acetyl-tyrosinyl-valinyl-(4-phenoxy)proline Methyl Ester
- IUPAC
- methyl (2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]-4-phenoxypyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL949232UXRWDKQRYTZQQK-ZDZYZNPZSA-NN-Acetyl-tyrosinyl-valinyl-(4-phenoxy)proline Methyl Ester
Database identifiers
- PubChem CID
- 54377655
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 821
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Related reactions
10 records
Compound notes
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