N-(5-Amino-1-Oxopentyl)-L-Phenylalanyl-L-Phenylalanyl-L-Prolyl-N-Methyl-L-Leucyl-L-Methioninamide
[CAS# 133156-06-6]

Identification

• Name: N-(5-Amino-1-Oxopentyl)-L-Phenylalanyl-L-Phenylalanyl-L-Prolyl-N-Methyl-L-Leucyl-L-Methioninamide
• Synonyms: (2S)-1-[(2S)-2-[[(2S)-2-(5-Aminopentanoylamino)-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Propanoyl]-N-[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]-N-Methyl-Pyrrolidine-2-Carboxamide; (2S)-1-[(2S)-2-[[(2S)-2-[(5-Amino-1-Oxopentyl)Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxo-3-Phenylpropyl]-N-[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]-N-Methyl-2-Pyrrolidinecarboxamide; (2S)-1-[(2S)-2-[[(2S)-2-(5-Aminopentanoylamino)-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Propanoyl]-N-[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]-N-Methyl-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₄₀H₅₉N₇O₆S
• Molecular Weight: 766.01
• CAS Registry Number: 133156-06-6
• SMILES: [C@@H]3(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCN)CC1=CC=CC=C1)CC2=CC=CC=C2)CCC3)C(=O)N([C@H](C(=O)N[C@H](C(=O)N)CCSC)CC(C)C)C
• InChI: 1S/C40H59N7O6S/c1-27(2)24-34(38(51)44-30(36(42)49)20-23-54-4)46(3)40(53)33-18-13-22-47(33)39(52)32(26-29-16-9-6-10-17-29)45-37(50)31(25-28-14-7-5-8-15-28)43-35(48)19-11-12-21-41/h5-10,14-17,27,30-34H,11-13,18-26,41H2,1-4H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t30-,31-,32-,33-,34-/m0/s1
• InChIKey: HQKPTSSZOJLFBZ-LJADHVKFSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 1082.183°C at 760 mmHg (Cal.)
• Flash point: 608.282°C (Cal.)
• solubility: Soluble to 1.10 mg/ml in water