L-Tyrosyl-L-prolyl-L-glutaminyl-L-prolyl-L-Glutamine
[CAS# 114691-30-4]

Identification

• Name: L-Tyrosyl-L-prolyl-L-glutaminyl-L-prolyl-L-Glutamine
• Synonyms: (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-Pentanoic Acid; (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]-5-Oxopentanoic Acid; (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-Valeric Acid
• Molecular Formula: C₂₉H₄₁N₇O₉
• Molecular Weight: 631.68
• CAS Registry Number: 114691-30-4
• SMILES: [C@H](C(=O)O)(NC([C@H]1N(CCC1)C([C@@H](NC([C@H]2N(CCC2)C([C@@H](N)CC3=CC=C(O)C=C3)=O)=O)CCC(=O)N)=O)=O)CCC(=O)N
• InChI: 1S/C29H41N7O9/c30-18(15-16-5-7-17(37)8-6-16)27(42)35-13-1-3-21(35)25(40)33-19(9-11-23(31)38)28(43)36-14-2-4-22(36)26(41)34-20(29(44)45)10-12-24(32)39/h5-8,18-22,37H,1-4,9-15,30H2,(H2,31,38)(H2,32,39)(H,33,40)(H,34,41)(H,44,45)/t18-,19-,20-,21-,22-/m0/s1
• InChIKey: HZWWPUTXBJEENE-YFNVTMOMSA-N

Properties

• Density: 1.406g/cm³ (Cal.)
• Boiling point: 1177.155°C at 760 mmHg (Cal.)
• Flash point: 665.72°C (Cal.)