(S)-N-(N-(N-(2-((N-(N-(1-D-histidyl-L-prolyl)-L-phenylalanyl)-L-histidyl)amino)-4-methylpentyl)-L-leucyl)-L-valyl)-L-Tyrosine
[CAS# 82131-82-6]

Identification

• Name: (S)-N-(N-(N-(2-((N-(N-(1-D-histidyl-L-prolyl)-L-phenylalanyl)-L-histidyl)amino)-4-methylpentyl)-L-leucyl)-L-valyl)-L-Tyrosine
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-Amino-3-(3H-Imidazol-4-Yl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Methyl-Pentyl]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)-2-[[[(2S)-1-[(2R)-2-Amino-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-4-Methylpentyl]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)-2-[[(2S)-1-[(2R)-2-Amino-3-(3H-Imidazol-4-Yl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Methyl-Pentyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propionic Acid
• Molecular Formula: C₅₂H₇₄N₁₂O₉
• Molecular Weight: 1011.23
• CAS Registry Number: 82131-82-6
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC[C@H](CC(C)C)NC([C@@H](NC([C@@H](NC([C@H]1N(CCC1)C([C@H](N)CC2=CN=C[NH]2)=O)=O)CC3=CC=CC=C3)=O)CC4=CN=C[NH]4)=O)CC(C)C)=O)C(C)C)=O)CC5=CC=C(O)C=C5
• InChI: 1S/C52H74N12O9/c1-30(2)19-37(27-56-40(20-31(3)4)46(66)63-45(32(5)6)50(70)62-43(52(72)73)22-34-14-16-38(65)17-15-34)59-47(67)42(24-36-26-55-29-58-36)60-48(68)41(21-33-11-8-7-9-12-33)61-49(69)44-13-10-18-64(44)51(71)39(53)23-35-25-54-28-57-35/h7-9,11-12,14-17,25-26,28-32,37,39-45,56,65H,10,13,18-24,27,53H2,1-6H3,(H,54,57)(H,55,58)(H,59,67)(H,60,68)(H,61,69)(H,62,70)(H,63,66)(H,72,73)/t37-,39+,40-,41-,42-,43-,44-,45-/m0/s1
• InChIKey: ABDWINSTWUZFIV-RLWIUDPYSA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Boiling point: 1382.047°C at 760 mmHg (Cal.)
• Flash point: 789.633°C (Cal.)