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Basic information
- Standard SMILES
Cc1cccc(N(C(=O)N2CCN(C(=O)OCc3ccccc3)C[C@H]2C(=O)O)c2ccccc2)c1- InChIKey
LLQAQKNFOFWFQI-DEOSSOPVSA-N- Molecular formula
- C27H27N3O5
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 473.19507097
Names & identifiers
- Preferred name
- (S)-4-(benzyloxycarbonyl)-1-[N-(3-methylphenyl)-N-phenylcarbamoyl]piperazine-2-carboxylic acid
- IUPAC
- (2S)-1-[(3-methylphenyl)-phenylcarbamoyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
Names & synonyms
SCHEMBL7384791LLQAQKNFOFWFQI-DEOSSOPVSA-N(S)-4-(benzyloxycarbonyl)-1-[N-(3-methylphenyl)-N-phenylcarbamoyl]-piperazine-2-carboxylic acid(S)-4-(benzyloxycarbonyl)-1-[N-(3-methylphenyl)-N-phenylcarbamoyl]piperazine-2-carboxylic acid
Database identifiers
- PubChem CID
- 18655103
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 734
Related reactions
2 records
Compound notes
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