N-(N-(N-(N-(N-(1-acetyl-L-prolyl)-L-phenylalanyl)-L-histidyl)-L-leucyl)-L-valyl)-L-Tyrosine
[CAS# 121520-99-8]

Identification

• Name: N-(N-(N-(N-(N-(1-acetyl-L-prolyl)-L-phenylalanyl)-L-histidyl)-L-leucyl)-L-valyl)-L-Tyrosine
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-Acetylpyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-Acetyl-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-Acetylpyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propionic Acid
• Molecular Formula: C₄₂H₅₆N₈O₉
• Molecular Weight: 816.95
• CAS Registry Number: 121520-99-8
• SMILES: [C@@H]1(N(CCC1)C(=O)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(O)=O)CC4=CN=C[NH]4
• InChI: 1S/C42H56N8O9/c1-24(2)18-31(39(55)49-36(25(3)4)41(57)48-34(42(58)59)20-28-13-15-30(52)16-14-28)45-38(54)33(21-29-22-43-23-44-29)46-37(53)32(19-27-10-7-6-8-11-27)47-40(56)35-12-9-17-50(35)26(5)51/h6-8,10-11,13-16,22-25,31-36,52H,9,12,17-21H2,1-5H3,(H,43,44)(H,45,54)(H,46,53)(H,47,56)(H,48,57)(H,49,55)(H,58,59)/t31-,32-,33-,34-,35-,36-/m0/s1
• InChIKey: OPTXGVMCPPAKTD-NGTAMTFRSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 1254.913°C at 760 mmHg (Cal.)
• Flash point: 712.746°C (Cal.)