Methyl 3-Hydroxy-2-[[3-[[3-Hydroxy-2-[[3-Hydroxy-2-(1H-Pyrrole-2-Carbonylamino)Butanoyl]Amino]Propanoyl]Amino]-3-Phenylpropanoyl]Amino]Butanoate
[CAS# 172548-92-4]

Identification

• Name: Methyl 3-Hydroxy-2-[[3-[[3-Hydroxy-2-[[3-Hydroxy-2-(1H-Pyrrole-2-Carbonylamino)Butanoyl]Amino]Propanoyl]Amino]-3-Phenylpropanoyl]Amino]Butanoate
• Synonyms: Methyl 3-Hydroxy-2-[[3-[[3-Hydroxy-2-[[3-Hydroxy-2-(1H-Pyrrole-2-Carbonylamino)Butanoyl]Amino]Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Butanoate; 3-Hydroxy-2-[[3-[[3-Hydroxy-2-[[3-Hydroxy-1-Oxo-2-[[Oxo-(1H-Pyrrol-2-Yl)Methyl]Amino]Butyl]Amino]-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]Butanoic Acid Methyl Ester; 3-Hydroxy-2-[[3-[[3-Hydroxy-2-[[3-Hydroxy-2-(1H-Pyrrole-2-Carbonylamino)Butanoyl]Amino]Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Butyric Acid Methyl Ester
• Molecular Formula: C₂₆H₃₅N₅O₉
• Molecular Weight: 561.59
• CAS Registry Number: 172548-92-4
• SMILES: C2=C(C(NC(C(NC(C(NC(CC(NC(C(=O)OC)C(O)C)=O)C1=CC=CC=C1)=O)CO)=O)C(O)C)=O)[NH]C=C2
• InChI: 1S/C26H35N5O9/c1-14(33)21(31-23(36)17-10-7-11-27-17)25(38)29-19(13-32)24(37)28-18(16-8-5-4-6-9-16)12-20(35)30-22(15(2)34)26(39)40-3/h4-11,14-15,18-19,21-22,27,32-34H,12-13H2,1-3H3,(H,28,37)(H,29,38)(H,30,35)(H,31,36)
• InChIKey: CJCYMDBASVMOKO-UHFFFAOYSA-N

Properties

• Density: 1.349g/cm³ (Cal.)
• Boiling point: 1047.842°C at 760 mmHg (Cal.)
• Flash point: 587.514°C (Cal.)