Pepstatin Ketone Analog
[CAS# 81485-13-4]

Identification

• Name: Pepstatin Ketone Analog
• Synonyms: (9S)-4,9-Diamino-N-[(2S)-2-Aminopropanoyl]-N-Isopentyl-6,10-Dimethyl-2-(3-Methylbutanoyl)-3,8-Dioxo-Undecanamide; (9S)-4,9-Diamino-N-[(2S)-2-Amino-1-Oxopropyl]-N-Isopentyl-6,10-Dimethyl-2-(3-Methyl-1-Oxobutyl)-3,8-Dioxoundecanamide; (9S)-N-Alanyl-4,9-Diamino-N-Isoamyl-2-Isovaleryl-3,8-Diketo-6,10-Dimethyl-Undecanamide
• Molecular Formula: C₂₆H₄₈N₄O₅
• Molecular Weight: 496.69
• CAS Registry Number: 81485-13-4
• SMILES: [C@H](C(N(C(C(C(C(CC(CC([C@@H](N)C(C)C)=O)C)N)=O)C(=O)CC(C)C)=O)CCC(C)C)=O)(N)C
• InChI: 1S/C26H48N4O5/c1-14(2)9-10-30(25(34)18(8)27)26(35)22(20(31)11-15(3)4)24(33)19(28)12-17(7)13-21(32)23(29)16(5)6/h14-19,22-23H,9-13,27-29H2,1-8H3/t17?,18-,19?,22?,23-/m0/s1
• InChIKey: FFRVLAMVMNBGNM-OMKLJEKQSA-N

Properties

• Density: 1.069g/cm³ (Cal.)
• Boiling point: 644.279°C at 760 mmHg (Cal.)
• Flash point: 343.448°C (Cal.)