Mercaptomethyl-4-Methylpentanoyl-Phenylalanylalaninamide
[CAS# 119935-96-5]

Identification

• Name: Mercaptomethyl-4-Methylpentanoyl-Phenylalanylalaninamide
• Synonyms: N-[(2S)-2-[[(2S)-2-(Mercaptomethylamino)-1-Oxo-3-Phenylpropyl]Amino]-1-Oxopropyl]-4-Methylpentanamide; N-[(2S)-2-[[(2S)-2-(Mercaptomethylamino)-3-Phenyl-Propanoyl]Amino]Propanoyl]-4-Methyl-Valeramide; Mercaptomethyl-4-Methylpentanoyl-Phenylalanylalaninamide
• Molecular Formula: C₁₉H₂₉N₃O₃S
• Molecular Weight: 379.52
• CAS Registry Number: 119935-96-5
• SMILES: [C@H](C(=O)NC(CCC(C)C)=O)(NC([C@@H](NCS)CC1=CC=CC=C1)=O)C
• InChI: 1S/C19H29N3O3S/c1-13(2)9-10-17(23)22-18(24)14(3)21-19(25)16(20-12-26)11-15-7-5-4-6-8-15/h4-8,13-14,16,20,26H,9-12H2,1-3H3,(H,21,25)(H,22,23,24)/t14-,16-/m0/s1
• InChIKey: FPKFWAJQYCQTJT-HOCLYGCPSA-N

Properties

• Density: 1.127g/cm³ (Cal.)
• Boiling point: 598.917°C at 760 mmHg (Cal.)
• Flash point: 316.014°C (Cal.)