L-Cysteinyl-L-tyrosyl-L-phenylalanyl-L-glutaminyl-L-asparaginyl-L-Cysteine
[CAS# 106897-47-6]

Identification

• Name: L-Cysteinyl-L-tyrosyl-L-phenylalanyl-L-glutaminyl-L-asparaginyl-L-Cysteine
• Synonyms: (2R)-2-[[(2S)-4-Amino-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Amino-3-Sulfanyl-Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-5-Oxo-Pentanoyl]Amino]-4-Oxo-Butanoyl]Amino]-3-Sulfanyl-Propanoic Acid; (2R)-2-[[(2S)-4-Amino-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Amino-3-Mercapto-1-Oxopropyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1,5-Dioxopentyl]Amino]-1,4-Dioxobutyl]Amino]-3-Mercaptopropanoic Acid; (2R)-2-[[(2S)-4-Amino-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Amino-3-Mercapto-Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-5-Keto-Pentanoyl]Amino]-4-Keto-Butanoyl]Amino]-3-Mercapto-Propionic Acid
• Molecular Formula: C₃₃H₄₄N₈O₁₀S₂
• Molecular Weight: 776.88
• CAS Registry Number: 106897-47-6
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CS)=O)CC1=CC=C(O)C=C1)=O)CC2=CC=CC=C2)=O)CCC(=O)N)=O)CC(=O)N)=O)CS
• InChI: 1S/C33H44N8O10S2/c34-20(15-52)28(45)38-22(13-18-6-8-19(42)9-7-18)31(48)39-23(12-17-4-2-1-3-5-17)30(47)37-21(10-11-26(35)43)29(46)40-24(14-27(36)44)32(49)41-25(16-53)33(50)51/h1-9,20-25,42,52-53H,10-16,34H2,(H2,35,43)(H2,36,44)(H,37,47)(H,38,45)(H,39,48)(H,40,46)(H,41,49)(H,50,51)/t20-,21-,22-,23-,24-,25-/m0/s1
• InChIKey: QPZFVIRSZDXRIW-OOPVGHQCSA-N

Properties

• Density: 1.4g/cm³ (Cal.)
• Boiling point: 1342.758°C at 760 mmHg (Cal.)
• Flash point: 765.872°C (Cal.)