L-Tyrosyl-D-alanylglycyl-2,3,4,5,6-pentafluoro-L-phenylalanyl-L-Methioninamide
[CAS# 67875-58-5]

Identification

• Name: L-Tyrosyl-D-alanylglycyl-2,3,4,5,6-pentafluoro-L-phenylalanyl-L-Methioninamide
• Synonyms: (2S)-N-[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]-2-[[(2S)-2-Amino-3-(2,3,4,5,6-Pentafluorophenyl)Propanoyl]Amino]-4-Methylsulfanyl-Butanamide; (2S)-N-[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxoethyl]-2-[[(2S)-2-Amino-1-Oxo-3-(2,3,4,5,6-Pentafluorophenyl)Propyl]Amino]-4-(Methylthio)Butanamide; (2S)-N-[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]-2-[[(2S)-2-Amino-3-(2,3,4,5,6-Pentafluorophenyl)Propanoyl]Amino]-4-(Methylthio)Butyramide
• Molecular Formula: C₂₈H₃₃F₅N₆O₆S
• Molecular Weight: 676.66
• CAS Registry Number: 67875-58-5
• SMILES: [C@H](C(=O)NC(CNC([C@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)C)=O)=O)(NC([C@@H](N)CC2=C(C(=C(C(=C2F)F)F)F)F)=O)CCSC
• InChI: 1S/C28H33F5N6O6S/c1-12(37-26(43)16(34)9-13-3-5-14(40)6-4-13)25(42)36-11-19(41)39-28(45)18(7-8-46-2)38-27(44)17(35)10-15-20(29)22(31)24(33)23(32)21(15)30/h3-6,12,16-18,40H,7-11,34-35H2,1-2H3,(H,36,42)(H,37,43)(H,38,44)(H,39,41,45)/t12-,16+,17+,18+/m1/s1
• InChIKey: RLZLURJBBOTKDM-IEGACIPQSA-N

Properties

• Density: 1.418g/cm³ (Cal.)
• Boiling point: 957.995°C at 760 mmHg (Cal.)
• Flash point: 533.176°C (Cal.)