Basic information
- CAS
95672-29-0- Standard SMILES
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1- InChIKey
QJERBBQXOMUURJ-MRXNPFEDSA-N- Molecular formula
- C18H15ClN2O3
- Average molar mass
- 342.8 g/mol
- Monoisotopic mass
- 342.07712
Names & identifiers
- Preferred name
- N-(4-chlorobenzoyl)-D-Tryptophan
- IUPAC
- (2R)-2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
Names & synonyms
95672-29-0N-(4-chlorobenzoyl)-D-Tryptophan(R)-2-(4-Chlorobenzamido)-3-(1H-indol-3-yl)propanoic acid(2R)-2-[(4-chlorophenyl)formamido]-3-(1H-indol-3-yl)propanoic acidDTXSID801334222EBC-13093EN300-27687496
Database identifiers
- CAS
95672-29-0- PubChem CID
- 65813
- DTXSID
DTXSID801334222- Nikkaji
- J1.233.518K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…