N-[(5-Chloro-3-Methyl-1-Oxo-3,4-Dihydro-1H-Isochromen-7-Yl)Carbonyl]-L-Tryptophan
[CAS# 64398-34-1]

Identification

• Name: N-[(5-Chloro-3-Methyl-1-Oxo-3,4-Dihydro-1H-Isochromen-7-Yl)Carbonyl]-L-Tryptophan
• Synonyms: (2S)-2-[(5-Chloro-3-Methyl-1-Oxo-Isochroman-7-Carbonyl)Amino]-3-(1H-Indol-3-Yl)Propanoic Acid; (2S)-2-[[(5-Chloro-3-Methyl-1-Oxo-7-Isochromanyl)-Oxomethyl]Amino]-3-(1H-Indol-3-Yl)Propanoic Acid; (2S)-2-[(5-Chloro-1-Keto-3-Methyl-Isochroman-7-Carbonyl)Amino]-3-(1H-Indol-3-Yl)Propionic Acid
• Molecular Formula: C₂₂H₁₉ClN₂O₅
• Molecular Weight: 426.86
• CAS Registry Number: 64398-34-1
• SMILES: [C@H](NC(=O)C1=CC(=C2C(=C1)C(OC(C2)C)=O)Cl)(CC3=C[NH]C4=CC=CC=C34)C(=O)O
• InChI: 1S/C22H19ClN2O5/c1-11-6-15-16(22(29)30-11)7-12(8-17(15)23)20(26)25-19(21(27)28)9-13-10-24-18-5-3-2-4-14(13)18/h2-5,7-8,10-11,19,24H,6,9H2,1H3,(H,25,26)(H,27,28)/t11?,19-/m0/s1
• InChIKey: XOBVSDBHJQSACD-OWRIGNJKSA-N

Properties

• Density: 1.436g/cm³ (Cal.)
• Boiling point: 714.151°C at 760 mmHg (Cal.)
• Flash point: 385.705°C (Cal.)