Pyroglutamyl-prolyl-prolyl-glycyl-glycyl-seryl-lysyl-valyl-isoleucyl-leucyl-phenylalanine
[CAS# 79943-68-3]

Identification

• Name: Pyroglutamyl-prolyl-prolyl-glycyl-glycyl-seryl-lysyl-valyl-isoleucyl-leucyl-phenylalanine
• Synonyms: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-3-Hydroxy-2-[[2-[[2-[[(2S)-1-[(2S)-1-[(2S)-5-Oxopyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]Acetyl]Amino]Propanoyl]Amino]Hexanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propanoic Acid; (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-3-Hydroxy-1-Oxo-2-[[1-Oxo-2-[[1-Oxo-2-[[Oxo-[(2S)-1-[Oxo-[(2S)-1-[Oxo-[(2S)-5-Oxo-2-Pyrrolidinyl]Methyl]-2-Pyrrolidinyl]Methyl]-2-Pyrrolidinyl]Methyl]Amino]Ethyl]Amino]Ethyl]Amino]Propyl]Amino]-1-Oxohexyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-3-Phenylpropanoic Acid; (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-3-Hydroxy-2-[[2-[[2-[[(2S)-1-[(2S)-1-Pyroglutamoylpyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]Acetyl]Amino]Propanoyl]Amino]Hexanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propionic Acid
• Molecular Formula: C₅₄H₈₄N₁₂O₁₄
• Molecular Weight: 1125.33
• CAS Registry Number: 79943-68-3
• SMILES: [C@@H]2(N(C([C@H]1NC(=O)CC1)=O)CCC2)C(N4[C@H](C(NCC(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)O)CC3=CC=CC=C3)=O)CC(C)C)=O)[C@H](CC)C)=O)C(C)C)=O)CCCCN)=O)CO)=O)=O)=O)CCC4)=O
• InChI: 1S/C54H84N12O14/c1-7-32(6)45(51(76)61-36(25-30(2)3)47(72)62-37(54(79)80)26-33-15-9-8-10-16-33)64-50(75)44(31(4)5)63-46(71)34(17-11-12-22-55)60-48(73)38(29-67)59-43(70)28-56-42(69)27-57-49(74)39-18-13-23-65(39)53(78)40-19-14-24-66(40)52(77)35-20-21-41(68)58-35/h8-10,15-16,30-32,34-40,44-45,67H,7,11-14,17-29,55H2,1-6H3,(H,56,69)(H,57,74)(H,58,68)(H,59,70)(H,60,73)(H,61,76)(H,62,72)(H,63,71)(H,64,75)(H,79,80)/t32-,34-,35-,36-,37-,38-,39-,40-,44-,45-/m0/s1
• InChIKey: QXXBUXBKXUHVQH-FMTGAZOMSA-N

Properties

• Density: 1.271g/cm³ (Cal.)
• Boiling point: 1506.474°C at 760 mmHg (Cal.)
• Flash point: 864.884°C (Cal.)