(2S)-2-amino-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide
Basic information
- CAS
38678-74-9- Standard SMILES
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccccc1- InChIKey
NGLOSTXYWNKKOB-HOTGVXAUSA-N- Molecular formula
- C18H21N3O3
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.15829154
Names & identifiers
- Preferred name
- (2S)-2-amino-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide
- IUPAC
- (2S)-2-amino-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide
- English name
- H-PHE-TYR-NH2 HCL
- Molecular formula
- C18H21N3O3
- Molecular weight
- 327.38
Names & synonyms
38678-74-9CHEMBL378907(2S)-2-amino-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-phenylpropanamideH-Phe-Tyr-NH2L-Phenylalanyl-L-tyrosinamideSCHEMBL29437738DTXSID70427220NGLOSTXYWNKKOB-HOTGVXAUSA-NBDBM50188481H-PHE-TYR-NH2 HCLL-PHE-TYR NH2 HCLL-Tyrosinamide, L-phenylalanyl-
Database identifiers
- CAS
38678-74-9- PubChem CID
- 7020145
- DTXSID
DTXSID70427220- ChEMBL
CHEMBL378907- Nikkaji
- J1.389.030G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Boiling point
- 681.4 · 681.4±55.0 °C(Predicted)
- Density
- 1.266 · 1.266±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 9.87 · 9.87±0.15(Predicted)
Related reactions
1 records
Compound notes
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