N-{[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}-S-methyl-L-cysteine
[CAS# 87270-38-0]

Identification

• Name: N-{[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}-S-methyl-L-cysteine
• Synonyms: Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-(methylthio)-; L-Cysteine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-S-methyl-; N-((1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-(methylthio)alanine
• Molecular Formula: C₂₃H₂₃ClN₂O₅S
• Molecular Weight: 474.96
• CAS Registry Number: 87270-38-0
• SMILES: O=C(O)[C@@H](NC(=O)Cc2c1cc(OC)ccc1n(c2C)C(=O)c3ccc(Cl)cc3)CSC
• InChI: 1S/C23H23ClN2O5S/c1-13-17(11-21(27)25-19(12-32-3)23(29)30)18-10-16(31-2)8-9-20(18)26(13)22(28)14-4-6-15(24)7-5-14/h4-10,19H,11-12H2,1-3H3,(H,25,27)(H,29,30)/t19-/m0/s1
• InChIKey: XWAHPUCZLAPTPG-IBGZPJMESA-N

Properties

• Density: 1.36g/cm³ (Cal.)
• Boiling point: 686.906°C at 760 mmHg (Cal.)
• Flash point: 369.228°C (Cal.)