L-alpha-Glutamyl-N-{(2S)-3-methyl-2-[(4-nitrophenyl)amino]butanoyl}-L-prolinamide
[CAS# 86190-22-9]

Identification

• Name: L-alpha-Glutamyl-N-{(2S)-3-methyl-2-[(4-nitrophenyl)amino]butanoyl}-L-prolinamide
• Synonyms: Pyro-glu-pro-val-pna; Pyroglutamyl-proly-valine-4-nitroanilide
• Molecular Formula: C₂₁H₂₉N₅O₇
• Molecular Weight: 463.48
• CAS Registry Number: 86190-22-9
• SMILES: O=C(NC(=O)[C@@H](Nc1ccc([N+]([O-])=O)cc1)C(C)C)[C@H]2N(C(=O)[C@@H](N)CCC(=O)O)CCC2
• InChI: 1S/C21H29N5O7/c1-12(2)18(23-13-5-7-14(8-6-13)26(32)33)20(30)24-19(29)16-4-3-11-25(16)21(31)15(22)9-10-17(27)28/h5-8,12,15-16,18,23H,3-4,9-11,22H2,1-2H3,(H,27,28)(H,24,29,30)/t15-,16-,18-/m0/s1
• InChIKey: QVTBYJZQQRTQII-BQFCYCMXSA-N

Properties

• Density: 1.368g/cm³ (Cal.)
• Boiling point: 773.342°C at 760 mmHg (Cal.)
• Flash point: 421.502°C (Cal.)