2,4,6-Trinitrophenyl-Tyrosyl-Valyl-Glycine
[CAS# 114043-34-4]

Identification

• Name: 2,4,6-Trinitrophenyl-Tyrosyl-Valyl-Glycine
• Synonyms: 2-[[(2S)-2-[[(2R)-3-(4-Hydroxyphenyl)-2-[(2,4,6-Trinitrophenyl)Amino]Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]Acetic Acid; 2-[[(2S)-2-[[(2R)-3-(4-Hydroxyphenyl)-1-Oxo-2-[(2,4,6-Trinitrophenyl)Amino]Propyl]Amino]-3-Methyl-1-Oxobutyl]Amino]Acetic Acid; 2-[[(2S)-2-[[(2R)-3-(4-Hydroxyphenyl)-2-[(2,4,6-Trinitrophenyl)Amino]Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]Ethanoic Acid
• Molecular Formula: C₂₂H₂₄N₆O₁₁
• Molecular Weight: 548.47
• CAS Registry Number: 114043-34-4
• SMILES: [C@H](NC1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1[N+]([O-])=O)(C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C)CC2=CC=C(O)C=C2
• InChI: 1S/C22H24N6O11/c1-11(2)19(22(33)23-10-18(30)31)25-21(32)15(7-12-3-5-14(29)6-4-12)24-20-16(27(36)37)8-13(26(34)35)9-17(20)28(38)39/h3-6,8-9,11,15,19,24,29H,7,10H2,1-2H3,(H,23,33)(H,25,32)(H,30,31)/t15-,19+/m1/s1
• InChIKey: WIHLYNPLPOZMMA-BEFAXECRSA-N

Properties

• Density: 1.525g/cm³ (Cal.)
• Boiling point: 922.726°C at 760 mmHg (Cal.)
• Flash point: 511.847°C (Cal.)