L-Alanyl-L-Alanyl-N-(4-Nitrophenyl)-L-Phenylalaninamide
[CAS# 61043-41-2]

Identification

• Name: L-Alanyl-L-Alanyl-N-(4-Nitrophenyl)-L-Phenylalaninamide
• Synonyms: ALA-ALA-PHEP-NITROANILIDE; L-Alanyl-L-alanyl-N-(4-nitrophenyl)-L-phenylalaninamid
• Molecular Formula: C₂₁H₂₅N₅O₅
• Molecular Weight: 427.45
• CAS Registry Number: 61043-41-2
• SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-])N
• InChI: 1S/C21H25N5O5/c1-13(22)19(27)23-14(2)20(28)25-18(12-15-6-4-3-5-7-15)21(29)24-16-8-10-17(11-9-16)26(30)31/h3-11,13-14,18H,12,22H2,1-2H3,(H,23,27)(H,24,29)(H,25,28)/t13-,14-,18-/m0/s1
• InChIKey: RMYMOVDNWWDGFU-DEYYWGMASA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 802.3±65.0°C at 760 mmHg (Cal.)
• Flash point: 439.0±34.3°C (Cal.)