Basic information
- Standard SMILES
COCC1CN(C(Cc2ccc3ccccc3c2)C(=O)OC)CCN1C(=O)C(Cc1ccc(F)cc1)NC(=O)OC(C)(C)C- InChIKey
NCMQKDCCSIFCGV-UHFFFAOYSA-N- Molecular formula
- C34H42FN3O6
- Average molar mass
- 607.7 g/mol
- Monoisotopic mass
- 607.30576423
Names & identifiers
- Preferred name
- 2-{4-[2-Tert-butoxycarbonylamino-3-(4-fluorophenyl)-propionyl]-3-methoxymethyl-piperazine-1-yl}-3-naphthalen-2-yl-propionic acid methyl ester
- IUPAC
- methyl 2-[4-[3-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3-(methoxymethyl)piperazin-1-yl]-3-naphthalen-2-ylpropanoate
Names & synonyms
SCHEMBL5844954NCMQKDCCSIFCGV-UHFFFAOYSA-N2-{4-[2-tert-butoxycarbonylamino-3-(4-fluorophenyl)-propionyl]-3-methoxymethyl-piperazine-1-yl}-3-naphthalen-2-yl-propionic acid methyl ester
Database identifiers
- PubChem CID
- 69587795
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 952
Related reactions
3 records
Compound notes
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