Basic information
- CAS
16088-00-9- Standard SMILES
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O- InChIKey
LEJTXQOVOPDGHS-YOEHRIQHSA-N- Molecular formula
- C20H22N2O5
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.1528718
Overview
RN given refers to (L-Ala-D-Phe)-isomer
Names & identifiers
- Preferred name
- N-Benzyloxycarbonylphenylalanylalanine
- IUPAC
- (2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
- English name
- N-benzyloxycarbonylphenylalanylalanine
- Molecular formula
- C20H22N2O5
- Molecular weight
- 370.4
Names & synonyms
Z-Phe-alaN-Benzyloxycarbonylphenylalanylalanine16088-00-9DTXSID30167019RefChem:162989DTXCID5089510N-(alpha)-benzyloxycarbonyl-D-phenylalanyl-L-alanineZ-PHE-ALA-OH21881-18-5Cbz-Phe-Ala-OHN-Cbz-Phe-Ala-OH(S)-2-((S)-2-(((Benzyloxy)carbonyl)amino)-3-phenylpropanamido)propanoic acid
Show more names
L-Alanine, N-[(phenylmethoxy)carbonyl]-D-phenylalanyl- (9CI)(S)-2-((R)-2-(((Benzyloxy)carbonyl)amino)-3-phenylpropanamido)propanoic acid
MFCD00037237CHEMBL430922L-Alanine, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-N-Benzyloxycarbonyl-L-Phenylalanyl-L-Alanine(2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid((Benzyloxy)carbonyl)-L-phenylalanyl-L-alanine(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]propanoic acidZ-L-PHENYLALANYL-L-ALANINE
Database identifiers
- CAS
16088-00-9- PubChem CID
- 152128
- DTXSID
DTXSID30167019- ChEMBL
CHEMBL430922- Nikkaji
- J740.934F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 499
Physicochemical properties
- Boiling point
- 666.113 · 666.113±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.253 · 1.253±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.503 · 3.503±0.10(predicted)
Chemistry & industry
Suppliers1 total
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
7 records
Compound notes
Loading…