Pyr-Gln-Phe-N-Me-Phe-Sar-Leu-Met-NH2
[CAS# 77128-69-9]

Identification

• Name: Pyr-Gln-Phe-N-Me-Phe-Sar-Leu-Met-NH2
• Synonyms: (2S)-N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-Ethyl]-Methyl-Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-Methyl-Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-2-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Pentanediamide; (2S)-N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxoethyl]-Methylamino]-2-Oxo-1-(Phenylmethyl)Ethyl]-Methylamino]-2-Oxo-1-(Phenylmethyl)Ethyl]-2-[[Oxo-[(2S)-5-Oxo-2-Pyrrolidinyl]Methyl]Amino]Pentanediamide; (2S)-N-[(1S)-1-(Benzyl)-2-[[(1S)-1-(Benzyl)-2-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-Ethyl]-Methyl-Amino]-2-Keto-Ethyl]-Methyl-Amino]-2-Keto-Ethyl]-2-(Pyroglutamoylamino)Glutaramide
• Molecular Formula: C₄₃H₆₁N₉O₉S
• Molecular Weight: 880.07
• CAS Registry Number: 77128-69-9
• SMILES: [C@H](C(N(CC(N[C@H](C(N[C@H](C(=O)N)CCSC)=O)CC(C)C)=O)C)=O)(N(C([C@@H](NC([C@@H](NC([C@H]1NC(=O)CC1)=O)CCC(=O)N)=O)CC2=CC=CC=C2)=O)C)CC3=CC=CC=C3
• InChI: 1S/C43H61N9O9S/c1-26(2)22-32(41(59)48-29(38(45)56)20-21-62-5)47-37(55)25-51(3)43(61)34(24-28-14-10-7-11-15-28)52(4)42(60)33(23-27-12-8-6-9-13-27)50-40(58)31(16-18-35(44)53)49-39(57)30-17-19-36(54)46-30/h6-15,26,29-34H,16-25H2,1-5H3,(H2,44,53)(H2,45,56)(H,46,54)(H,47,55)(H,48,59)(H,49,57)(H,50,58)/t29-,30-,31-,32-,33-,34-/m0/s1
• InChIKey: IEEBRBMEXFNVKU-CVUOCSEZSA-N

Properties

• Density: 1.258g/cm³ (Cal.)
• Boiling point: 1291.178°C at 760 mmHg (Cal.)
• Flash point: 734.678°C (Cal.)