Calcium bis(N-(4-chlorobenzoyl)-L-tryptophanate)

Base Information

• Chemical Name: Calcium bis(N-(4-chlorobenzoyl)-L-tryptophanate)
• CAS No.: 56116-62-2
• Molecular Formula: C36H28CaCl2N4O6
• Molecular Weight: 723.61
• European Community (EC) Number: 260-001-9
• DSSTox Substance ID: DTXSID80204660
• Mol file: 56116-62-2.mol

Synonyms:Calcium bis(N-(4-chlorobenzoyl)-L-tryptophanate);56116-62-2;EINECS 260-001-9;calcium;(2S)-2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate;Calcium (S)-2-(4-chlorobenzamido)-3-(1H-indol-3-yl)propanoate;Calcium bis[N-(4-chlorobenzoyl)-L-tryptophanate];C18H15ClN2O3.1/2Ca;C18-H15-Cl-N2-O3.1/2Ca;SCHEMBL11871158;DTXSID80204660;BTTZKEFKFLGNEC-WUBQCMAVSA-L;N-p-chloro-benzoyl-L-tryptophane calcium salt;D89309;Calcium(S)-2-(4-chlorobenzamido)-3-(1H-indol-3-yl)propanoate;calcium bis((2S)-2-[(4-chlorophenyl)formamido]-3-(1H-indol-3-yl)propanoate)

Chemical Property of Calcium bis(N-(4-chlorobenzoyl)-L-tryptophanate)

Chemical Property:

• Vapor Pressure: 1.88E-17mmHg at 25°C
• Boiling Point: 643.7 °C at 760 mmHg
• Flash Point: 343.1 °C
• PSA: 142.38000
• LogP: 7.12160
• Solubility.: almost transparency in Methanol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 722.1011809
• Heavy Atom Count: 49
• Complexity: 460

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Chlorobenzoyl-L-tryptophan Calcium Salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC(=O)C3=CC=C(C=C3)Cl.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC(=O)C3=CC=C(C=C3)Cl.[Ca+2]
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])NC(=O)C3=CC=C(C=C3)Cl.C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])NC(=O)C3=CC=C(C=C3)Cl.[Ca+2]