Methyl Pyroglutamyl-Histidyl-piperidine-2-carboxylate
[CAS# 64783-97-7]

Identification

• Name: Methyl Pyroglutamyl-Histidyl-piperidine-2-carboxylate
• Synonyms: 1-[(2S)-3-(3H-Imidazol-4-Yl)-1-Oxo-2-[[Oxo-[(2S)-5-Oxo-2-Pyrrolidinyl]Methyl]Amino]Propyl]-2-Piperidinecarboxylic Acid Methyl Ester; 1-[(2S)-3-(3H-Imidazol-4-Yl)-2-(Pyroglutamoylamino)Propanoyl]Pipecolinic Acid Methyl Ester; Methyl 1-[(2S)-3-(3H-Imidazol-4-Yl)-2-[[(2S)-5-Oxopyrrolidin-2-Yl]Carbonylamino]Propanoyl]Piperidine-2-Carboxylate
• Molecular Formula: C₁₈H₂₅N₅O₅
• Molecular Weight: 391.43
• CAS Registry Number: 64783-97-7
• SMILES: [C@@H](NC(=O)[C@H]1NC(=O)CC1)(C(=O)N2C(CCCC2)C(OC)=O)CC3=CN=C[NH]3
• InChI: 1S/C18H25N5O5/c1-28-18(27)14-4-2-3-7-23(14)17(26)13(8-11-9-19-10-20-11)22-16(25)12-5-6-15(24)21-12/h9-10,12-14H,2-8H2,1H3,(H,19,20)(H,21,24)(H,22,25)/t12-,13-,14?/m0/s1
• InChIKey: XBIMPEXPZJZUMP-RFHHWMCGSA-N

Properties

• Density: 1.341g/cm³ (Cal.)
• Boiling point: 831.888°C at 760 mmHg (Cal.)
• Flash point: 456.91°C (Cal.)