N-(2-Hydroxy-4-(Isobutylcarbamoyl)Butyryl)Histidylprolinamide
[CAS# 83437-31-4]

Identification

• Name: N-(2-Hydroxy-4-(Isobutylcarbamoyl)Butyryl)Histidylprolinamide
• Synonyms: N-[(1S)-2-[(2S)-2-Carbamoylpyrrolidin-1-Yl]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]-2-Hydroxy-N'-Isobutyl-Pentanediamide; N-[(1S)-2-[(2S)-2-Carbamoyl-1-Pyrrolidinyl]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]-2-Hydroxy-N'-Isobutylpentanediamide; N-[(1S)-2-[(2S)-2-Carbamoylpyrrolidin-1-Yl]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]-2-Hydroxy-N'-Isobutyl-Glutaramide
• Molecular Formula: C₂₀H₃₂N₆O₅
• Molecular Weight: 436.51
• CAS Registry Number: 83437-31-4
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)C(O)CCC(=O)NCC(C)C)CC2=CN=C[NH]2)C(=O)N
• InChI: 1S/C20H32N6O5/c1-12(2)9-23-17(28)6-5-16(27)19(30)25-14(8-13-10-22-11-24-13)20(31)26-7-3-4-15(26)18(21)29/h10-12,14-16,27H,3-9H2,1-2H3,(H2,21,29)(H,22,24)(H,23,28)(H,25,30)/t14-,15-,16?/m0/s1
• InChIKey: XVTARERDLIZSBS-KSCSMHSMSA-N

Properties

• Density: 1.294g/cm³ (Cal.)
• Boiling point: 943.739°C at 760 mmHg (Cal.)
• Flash point: 524.554°C (Cal.)