(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid

Base Information

• Chemical Name: (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid
• CAS No.: 270065-87-7
• Molecular Formula: C26H22N2O4
• Molecular Weight: 426.46
• DSSTox Substance ID: DTXSID40375860
• Mol file: 270065-87-7.mol

Synonyms:270065-87-7;(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid;Fmoc-(S)-3-Amino-4-(3-cyano-phenyl)-butyric acid;(3S)-4-(3-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic Acid;Fmoc-(S)-3-amino-4-(3-cyanophenyl)-butyric acid;(3S)-4-(3-Cyanophenyl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid;Fmoc-(S)-3-Amino-4-(3-cyanophenyl)butanoic acid;Fmoc-3-cyano-L-beta-homophenylalanine;DTXSID40375860;MFCD01861077;AKOS015892766;AC-22189;PS-12306;CS-0150046;D82205;fmoc-(s)-3-amino-4-(3-cyanophenyl)butyric acid;EN300-12577622;(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoicacid;(S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(3-cyanophenyl)butanoic acid

Chemical Property of (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid

Chemical Property:

• Vapor Pressure: 1.45E-19mmHg at 25°C
• Refractive Index: 1.662
• Boiling Point: 682.6 °C at 760 mmHg
• PKA: 4.33±0.10(Predicted)
• Flash Point: 366.6 °C
• PSA: 99.42000
• Density: 1.33 g/cm³
• LogP: 4.87368
• Storage Temp.: 2-8°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 426.15795719
• Heavy Atom Count: 32
• Complexity: 694

Purity/Quality:

98%min ^*data from raw suppliers

Fmoc-(S)-3-amino-4-(3-cyanophenyl)-butyric acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC(=CC=C4)C#N)CC(=O)O
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=CC=C4)C#N)CC(=O)O