Basic information
- CAS
4892-10-8- Standard SMILES
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1- InChIKey
QMKJDTHWFXXVPD-ZEQRLZLVSA-N- Molecular formula
- C27H28N2O5
- Average molar mass
- 460.5 g/mol
- Monoisotopic mass
- 460.199822
Overview
RN given refers to all (L)-isomer
Names & identifiers
- Preferred name
- N-(Benzyloxycarbonyl)phenylalanylphenylalanine methyl ester
- IUPAC
- methyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
- English name
- N-(benzyloxycarbonyl)phenylalanylphenylalanine methyl ester
- Molecular formula
- C27H28N2O5
- Molecular weight
- 460.52
Names & synonyms
Z-Phe-phe-omeN-(Benzyloxycarbonyl)phenylalanylphenylalanine methyl ester4892-10-8RefChem:162314NSC-120038Cbz-L-Phe-L-Phe-OMe5B5CK3HY98SCHEMBL9545976NSC 120038methyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoateN-(benzyloxycarbonyl)-l-phenylalanyl-l-phenylalanine methyl esterL-Phenylalanine, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-, methyl ester
Show more names
CARBOBENZYLOXY-L-PHENYLALANYL-L-PHENYLALANINE METHYL ESTER
N-[(Phenylmethoxy)carbonyl]-L-phenylalanyl-L-phenylalanine methyl esterL-Alanine, N-(N-carboxy-3-phenyl-L-alanyl)-3-phenyl-, N-benzyl methyl esterL-Phenylalanine, N-(N-((phenylmethoxy)carbonyl)-L-phenylalanyl)-, methyl ester
Database identifiers
- CAS
4892-10-8- PubChem CID
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 637
Physicochemical properties
- Melting point
- 149 °C · 149 °C
- Boiling point
- 687.7 · 687.7±55.0 °C(Predicted)
- Density
- 1.206 · 1.206±0.06 g/cm3(Predicted)
- pka
- 11.08 · 11.08±0.46(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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