4-Chlorobenzoyl-L-Tryptophan Calcium Salt
[CAS# 56116-62-2]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Tryptophan derivatives
• Name: 4-Chlorobenzoyl-L-Tryptophan Calcium Salt
• Synonyms: Calcium (2S)-2-[[(4-Chlorophenyl)-Oxomethyl]Amino]-3-(1H-Indol-3-Yl)Propanoate; Calcium (2S)-2-[(4-Chlorobenzoyl)Amino]-3-(1H-Indol-3-Yl)Propionate; Calcium (2S)-2-[(4-Chlorophenyl)Carbonylamino]-3-(1H-Indol-3-Yl)Propanoate
• Molecular Formula: C₃₆H₂₈CaCl₂N₄O₆
• Molecular Weight: 723.63
• CAS Registry Number: 56116-62-2
• EINECS: 260-001-9
• SMILES: [C@H](NC(=O)C1=CC=C(Cl)C=C1)(CC2=C[NH]C3=CC=CC=C23)C([O-])=O.[C@H](NC(=O)C4=CC=C(Cl)C=C4)(CC5=C[NH]C6=CC=CC=C56)C([O-])=O.[Ca++]
• InChI: 1S/2C18H15ClN2O3.Ca/c2*19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15;/h2*1-8,10,16,20H,9H2,(H,21,22)(H,23,24);/q;;+2/p-2/t2*16-;/m00./s1
• InChIKey: BTTZKEFKFLGNEC-WUBQCMAVSA-L

Properties

• Boiling point: 643.7°C at 760 mmHg (Cal.)
• Flash point: 343.1°C (Cal.)