(2S)-2-[6-[(2,4-Dinitrophenyl)Amino]Hexanoylamino]-3-(4-Hydroxyphenyl)Propanoic Acid
[CAS# 104077-24-9]

Identification

• Name: (2S)-2-[6-[(2,4-Dinitrophenyl)Amino]Hexanoylamino]-3-(4-Hydroxyphenyl)Propanoic Acid
• Synonyms: (2S)-2-[[6-[(2,4-Dinitrophenyl)Amino]-1-Oxohexyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid; (2S)-2-[6-[(2,4-Dinitrophenyl)Amino]Hexanoylamino]-3-(4-Hydroxyphenyl)Propionic Acid; 2,4-Dinitrophenylaminocaproyltyrosine
• Molecular Formula: C₂₁H₂₄N₄O₈
• Molecular Weight: 460.44
• CAS Registry Number: 104077-24-9
• SMILES: [C@H](NC(=O)CCCCCNC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O)(CC2=CC=C(O)C=C2)C(=O)O
• InChI: 1S/C21H24N4O8/c26-16-8-5-14(6-9-16)12-18(21(28)29)23-20(27)4-2-1-3-11-22-17-10-7-15(24(30)31)13-19(17)25(32)33/h5-10,13,18,22,26H,1-4,11-12H2,(H,23,27)(H,28,29)/t18-/m0/s1
• InChIKey: JUCODPLCOTZQPD-SFHVURJKSA-N

Properties

• Density: 1.418g/cm³ (Cal.)
• Boiling point: 784.947°C at 760 mmHg (Cal.)
• Flash point: 428.521°C (Cal.)