N-Acetyl-L-Isoleucyl-L-alpha-Glutamyl-L-Threonyl-N-(4-Nitrophenyl)-L-alpha-Asparagine
[CAS# 219138-21-3]

Identification

• Name: N-Acetyl-L-Isoleucyl-L-alpha-Glutamyl-L-Threonyl-N-(4-Nitrophenyl)-L-alpha-Asparagine
• Synonyms: Ac-IETD-pNA; Caspase-3 Processing Enzyme Substrate II (Chromogenic); Granzyme B Substrate Ac-IETD-pNA
• Molecular Formula: C₂₇H₃₈N₆O₁₂
• Molecular Weight: 638.62
• CAS Registry Number: 219138-21-3
• SMILES: CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)C
• InChI: 1S/C27H38N6O12/c1-5-13(2)22(28-15(4)35)26(42)30-18(10-11-20(36)37)24(40)32-23(14(3)34)27(43)31-19(12-21(38)39)25(41)29-16-6-8-17(9-7-16)33(44)45/h6-9,13-14,18-19,22-23,34H,5,10-12H2,1-4H3,(H,28,35)(H,29,41)(H,30,42)(H,31,43)(H,32,40)(H,36,37)(H,38,39)/t13-,14+,18-,19-,22-,23-/m0/s1
• InChIKey: FHURKTIGZAIQGR-BQCLNCLCSA-N

Properties

• Density: 1.386g/cm³ (Cal.)
• Boiling point: 1140.823°C at 760 mmHg (Cal.)
• Flash point: 643.746°C (Cal.)
• Refractive index: 1.583 (Cal.)