2-[[3-[[3-Hydroxy-2-[2-(1H-Pyrrole-2-Carbonylamino)Butanoylamino]Propanoyl]Amino]-3-Phenylpropanoyl]Amino]Butanoic Acid
[CAS# 163136-31-0]

Identification

• Name: 2-[[3-[[3-Hydroxy-2-[2-(1H-Pyrrole-2-Carbonylamino)Butanoylamino]Propanoyl]Amino]-3-Phenylpropanoyl]Amino]Butanoic Acid
• Synonyms: 2-[[3-[[3-Hydroxy-2-[2-(1H-Pyrrole-2-Carbonylamino)Butanoylamino]Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Butanoic Acid; 2-[[3-[[3-Hydroxy-1-Oxo-2-[[1-Oxo-2-[[Oxo-(1H-Pyrrol-2-Yl)Methyl]Amino]Butyl]Amino]Propyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]Butanoic Acid; 2-[[3-[[3-Hydroxy-2-[2-(1H-Pyrrole-2-Carbonylamino)Butanoylamino]Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Butyric Acid
• Molecular Formula: C₂₅H₃₃N₅O₇
• Molecular Weight: 515.57
• CAS Registry Number: 163136-31-0
• SMILES: C2=C(C(NC(C(NC(C(NC(CC(NC(C(=O)O)CC)=O)C1=CC=CC=C1)=O)CO)=O)CC)=O)[NH]C=C2
• InChI: 1S/C25H33N5O7/c1-3-16(28-23(34)18-11-8-12-26-18)22(33)30-20(14-31)24(35)29-19(15-9-6-5-7-10-15)13-21(32)27-17(4-2)25(36)37/h5-12,16-17,19-20,26,31H,3-4,13-14H2,1-2H3,(H,27,32)(H,28,34)(H,29,35)(H,30,33)(H,36,37)
• InChIKey: MSWRFBPAGLGJCX-UHFFFAOYSA-N

Properties

• Density: 1.305g/cm³ (Cal.)
• Boiling point: 1014.987°C at 760 mmHg (Cal.)
• Flash point: 567.644°C (Cal.)