Pyroglutamyl-Histidyl-Proline Thioamide
[CAS# 99933-27-4]

Identification

• Name: Pyroglutamyl-Histidyl-Proline Thioamide
• Synonyms: N-[2-(2-Carbamothioylpyrrolidin-1-Yl)-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]-5-Oxo-Pyrrolidine-2-Carboxamide; N-[2-(2-Carbamothioyl-1-Pyrrolidinyl)-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]-5-Oxo-2-Pyrrolidinecarboxamide; N-[1-(3H-Imidazol-4-Ylmethyl)-2-Keto-
• Molecular Formula: C₁₆H₂₂N₆O₃S
• Molecular Weight: 378.45
• CAS Registry Number: 99933-27-4
• SMILES: C3=NC=C(CC(NC(C1CCC(N1)=O)=O)C(N2CCCC2C(N)=S)=O)[NH]3
• InChI: 1S/C16H22N6O3S/c17-14(26)12-2-1-5-22(12)16(25)11(6-9-7-18-8-19-9)21-15(24)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,26)(H,18,19)(H,20,23)(H,21,24)
• InChIKey: XDMCHYGXDNNEPU-UHFFFAOYSA-N

Properties

• Density: 1.441g/cm³ (Cal.)