3-(4-Benzyloxy-phenyl)-2-{4-methyl-2-[(4-phenyl-piperazine-1-carbonyl)-amino]-pentanoylamino}-propionic acid tert-butyl ester
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Basic information
- Standard SMILES
CC(C)CC(NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C- InChIKey
RWUCQPCCVMXZKZ-UHFFFAOYSA-N- Molecular formula
- C37H48N4O5
- Average molar mass
- 628.8 g/mol
Names & identifiers
- Preferred name
- 3-(4-Benzyloxy-phenyl)-2-{4-methyl-2-[(4-phenyl-piperazine-1-carbonyl)-amino]-pentanoylamino}-propionic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[[4-methyl-2-[(4-phenylpiperazine-1-carbonyl)amino]pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
Names & synonyms
SCHEMBL7346720RWUCQPCCVMXZKZ-UHFFFAOYSA-N3-(4-Benzyloxy-phenyl)-2-{4-methyl-2-[(4-phenyl-piperazine-1-carbonyl)-amino]-pentanoylamino}-propionic acid tert-butyl ester
Database identifiers
- PubChem CID
- 70061366
Properties
Computed structural propertiesFilling in
- XLogP
- 6.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 940
Related reactions
1 records
Compound notes
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