2-benzamido-3-(1H-indol-3-yl)propanoic acid
Basic information
- CAS
4302-66-3- Standard SMILES
O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1- InChIKey
WPBCXLCJWLNDPV-UHFFFAOYSA-N- Molecular formula
- C18H16N2O3
- Average molar mass
- 308.3 g/mol
- Monoisotopic mass
- 308.11609238
Overview
2-benzamido-3-(1H-indol-3-yl)propanoic acid has been reported in Aspergillus with data available.
Names & identifiers
- Preferred name
- 2-benzamido-3-(1H-indol-3-yl)propanoic acid
- IUPAC
- 2-benzamido-3-(1H-indol-3-yl)propanoic acid
- English name
- Bz-Trp-OH
- Molecular formula
- C18H16N2O3
- Molecular weight
- 308.33
Names & synonyms
N-benzoyltryptophan2-benzamido-3-(1H-indol-3-yl)propanoic acid55629-71-5NSC1640352901-79-3BenzoyltryptophanN-Benzoyl-tryptophanN-BenzoyltryptaminNSC3052713-(1H-indol-3-yl)-2-(phenylformamido)propanoic acidTryptophan, N-benzoyl-Na-Benzoyl-L-tryptophan
Show more names
Bz-Trp-OHBZO-TRP-OHBz-L-Trp-OHBZ-TRYPTOPHANBZ-TRP-OH USP/EP/BPBENZOYL-L-TRYPTOPHANN-Benzoyl-L-TryptophanNα-Benzoyl-L-tryptophan
Tryptophan Impurity 124Cambridge id 5104989N-(phenylcarbonyl)tryptophanOprea1_321767CBDivE_001947MLS000085143MEGxm0_000360SCHEMBL5259129
Database identifiers
- CAS
4302-66-3、55629-71-5- PubChem CID
- 294891
- DTXSID
DTXSID30304043- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Melting point
- 193 · 193-194 °C
- Boiling point
- 647.8 · 647.8±50.0 °C(Predicted)
- Density
- 1.335 · 1.335±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 3.82 · 3.82±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- optical activity
- -12.267 ° · -12.267°(C=1.00g/100mL ETOH)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310+P330-P405-P501
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310+P330-P405-P501
Related reactions
2 records
Compound notes
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