(2S)-2-[[(2S)-1-[(2S)-5-Amino-2-[[(2S)-1-[(2S)-5-Amino-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Oxopentanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Oxopentanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenylpropanoic Acid
[CAS# 107936-65-2]

Identification

• Name: (2S)-2-[[(2S)-1-[(2S)-5-Amino-2-[[(2S)-1-[(2S)-5-Amino-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Oxopentanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Oxopentanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenylpropanoic Acid
• Synonyms: (2S)-2-[[(2S)-1-[(2S)-5-Amino-2-[[(2S)-1-[(2S)-5-Amino-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Oxo-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Oxo-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoic Acid; (2S)-2-[[[(2S)-1-[(2S)-5-Amino-2-[[[(2S)-1-[(2S)-5-Amino-2-[[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1,5-Dioxopentyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1,5-Dioxopentyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-Phenylpropanoic Acid; (2S)-2-[[(2S)-1-[(2S)-5-Amino-2-[[(2S)-1-[(2S)-5-Amino-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Keto-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Keto-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propionic Acid
• Molecular Formula: C₄₃H₅₇N₉O₁₁
• Molecular Weight: 875.98
• CAS Registry Number: 107936-65-2
• SMILES: [C@H](C(=O)O)(NC([C@H]1N(CCC1)C([C@@H](NC([C@H]2N(CCC2)C([C@@H](NC([C@H]3N(CCC3)C([C@@H](N)CC4=CC=C(O)C=C4)=O)=O)CCC(=O)N)=O)=O)CCC(=O)N)=O)=O)CC5=CC=CC=C5
• InChI: 1S/C43H57N9O11/c44-28(23-26-12-14-27(53)15-13-26)40(59)50-20-4-9-32(50)37(56)47-29(16-18-35(45)54)41(60)51-21-5-10-33(51)38(57)48-30(17-19-36(46)55)42(61)52-22-6-11-34(52)39(58)49-31(43(62)63)24-25-7-2-1-3-8-25/h1-3,7-8,12-15,28-34,53H,4-6,9-11,16-24,44H2,(H2,45,54)(H2,46,55)(H,47,56)(H,48,57)(H,49,58)(H,62,63)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
• InChIKey: QGFISQMZJLWFEE-NXBWRCJVSA-N
• Protein Sequence: H-Tyr-Pro-Gln-Pro-Gln-Pro-Phe-OH

Properties

• Density: 1.384g/cm³ (Cal.)
• Boiling point: 1355.985°C at 760 mmHg (Cal.)
• Flash point: 773.872°C (Cal.)