5-Oxo-L-prolyl-L-phenylalanyl-L-phenylalanyl-L-prolyl-L-leucyl-L-methioninamide
[CAS# 79775-19-2]

Identification

• Name: 5-Oxo-L-prolyl-L-phenylalanyl-L-phenylalanyl-L-prolyl-L-leucyl-L-methioninamide
• Synonyms: (2S)-N-[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-5-Oxo-Pyrrolidine-2-Carboxamide; (2S)-N-[(1S)-2-[[(1S)-2-[(2S)-2-[[[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-5-Oxo-2-Pyrrolidinecarboxamide; (2S)-N-[(1S)-1-(Benzyl)-2-[[(1S)-1-(Benzyl)-2-[(2S)-2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]-5-Keto-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₃₉H₅₃N₇O₇S
• Molecular Weight: 763.95
• CAS Registry Number: 79775-19-2
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@H]2NC(CC2)=O)=O)CC3=CC=CC=C3)=O)CC4=CC=CC=C4)=O)=O)CC(C)C)=O)CCSC
• InChI: 1S/C39H53N7O7S/c1-24(2)21-29(36(50)42-27(34(40)48)18-20-54-3)44-38(52)32-15-10-19-46(32)39(53)31(23-26-13-8-5-9-14-26)45-37(51)30(22-25-11-6-4-7-12-25)43-35(49)28-16-17-33(47)41-28/h4-9,11-14,24,27-32H,10,15-23H2,1-3H3,(H2,40,48)(H,41,47)(H,42,50)(H,43,49)(H,44,52)(H,45,51)/t27-,28-,29-,30-,31-,32-/m0/s1
• InChIKey: UUZURPUIMYJOIL-JNRWAQIZSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 1189.37°C at 760 mmHg (Cal.)
• Flash point: 673.107°C (Cal.)