L-Phenylalanine,N-[(phenylmethoxy)carbonyl]-L-alanyl- supplier

Name
Z-ALA-PHE-OH
EINECS 220-454-5
CAS No. 2768-53-8
Article Data32
CAS DataBase
Density 1.253 g/cm³
Solubility
Melting Point
Formula C₂₀H₂₂N₂O₅
Boiling Point 643.7 °C at 760 mmHg
Molecular Weight 370.405
Flash Point 343.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Alanine,N-(N-carboxy-L-alanyl)-3-phenyl-, N-benzyl ester, L- (7CI,8CI);Alanine,N-(N-carboxyalanyl)-3-phenyl-, N-benzyl ester (6CI);Carbobenzoxy-L-alanyl-L-phenylalanine;N-(Benzyloxycarbonyl)-L-alanyl-L-phenylalanine;N-Carbobenzyloxy-L-alanyl-L-phenylalanine;NSC 87854;L-Phenylalanine,N-[N-[(phenylmethoxy)carbonyl]-L-alanyl]-;
PSA 104.73000
LogP 2.89520

L-Phenylalanine,N-[(phenylmethoxy)carbonyl]-L-alanyl- Specification

The L-Phenylalanine,N-[(phenylmethoxy)carbonyl]-L-alanyl-, with the CAS registry number 2768-53-8, is also known as N-(Benzyloxycarbonyl)-L-alanyl-L-phenylalanine. It belongs to the product category of Amino Acid Derivatives. Its EINECS number is 220-454-5. This chemical's molecular formula is C₂₀H₂₂N₂O₅ and molecular weight is 370.4. What's more, its IUPAC name is 3-phenyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid. Its storage temperature is -15°C.

Physical properties of L-Phenylalanine,N-[(phenylmethoxy)carbonyl]-L-alanyl- are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 5.34; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 76.15 Å²; (11)Index of Refraction: 1.581; (12)Molar Refractivity: 98.56 cm³; (13)Molar Volume: 295.6 cm³; (14)Surface Tension: 52.8 dyne/cm; (15)Density: 1.253 g/cm³; (16)Flash Point: 343.1 °C; (17)Enthalpy of Vaporization: 99.81 kJ/mol; (18)Boiling Point: 643.7 °C at 760 mmHg; (19)Vapour Pressure: 1.9E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)OCC2=CC=CC=C2
(2)InChI: InChI=1S/C20H22N2O5/c1-14(21-20(26)27-13-16-10-6-3-7-11-16)18(23)22-17(19(24)25)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)
(3)InChIKey: BVNXQVWGWUHKMK-UHFFFAOYSA-N

Product Name

Z-ALA-PHE-OH

L-Phenylalanine,N-[(phenylmethoxy)carbonyl]-L-alanyl- Specification

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