L-Tyrosyl-L-prolyl-L-phenylalanyl-L-prolylglycyl-L-prolyl-L-Isoleucine
[CAS# 72122-62-4]

Identification

• Name: L-Tyrosyl-L-prolyl-L-phenylalanyl-L-prolylglycyl-L-prolyl-L-Isoleucine
• Synonyms: (2S,3S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methyl-Pentanoic Acid; (2S,3S)-2-[[[(2S)-1-[2-[[[(2S)-1-[(2S)-2-[[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxo-3-Phenylpropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxoethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-Methylpentanoic Acid; (2S,3S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methyl-Valeric Acid
• Molecular Formula: C₄₁H₅₅N₇O₉
• Molecular Weight: 789.93
• CAS Registry Number: 72122-62-4
• SMILES: [C@@H]4(N(C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC2)CC3=CC=CC=C3)CCC4)C(=O)NCC(=O)N5[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)CCC5
• InChI: 1S/C41H55N7O9/c1-3-25(2)35(41(56)57)45-38(53)32-13-7-19-46(32)34(50)24-43-36(51)31-12-8-21-48(31)40(55)30(23-26-10-5-4-6-11-26)44-37(52)33-14-9-20-47(33)39(54)29(42)22-27-15-17-28(49)18-16-27/h4-6,10-11,15-18,25,29-33,35,49H,3,7-9,12-14,19-24,42H2,1-2H3,(H,43,51)(H,44,52)(H,45,53)(H,56,57)/t25-,29-,30-,31-,32-,33-,35-/m0/s1
• InChIKey: RKYJTDSQXOMDAD-JKXTZXEVSA-N
• Protein Sequence: H-Tyr-Pro-Phe-Pro-Gly-Pro-Ile-OH

Properties

• Density: 1.32g/cm³ (Cal.)
• Boiling point: 1170.516°C at 760 mmHg (Cal.)
• Flash point: 661.705°C (Cal.)