N-(3-Carboxypropanoyl)-L-alanyl-L-alanyl-L-prolyl-N-(4-nitrophenyl)-L-valinamide
[CAS# 72682-76-9]

Identification

• Name: N-(3-Carboxypropanoyl)-L-alanyl-L-alanyl-L-prolyl-N-(4-nitrophenyl)-L-valinamide
• Synonyms: SUC-ALA-ALA-PRO-VAL-PNA
• Molecular Formula: C₂₆H₃₆N₆O₉
• Molecular Weight: 576.60
• CAS Registry Number: 72682-76-9
• SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCC(=O)O
• InChI: 1S/C26H36N6O9/c1-14(2)22(25(38)29-17-7-9-18(10-8-17)32(40)41)30-24(37)19-6-5-13-31(19)26(39)16(4)28-23(36)15(3)27-20(33)11-12-21(34)35/h7-10,14-16,19,22H,5-6,11-13H2,1-4H3,(H,27,33)(H,28,36)(H,29,38)(H,30,37)(H,34,35)/t15-,16-,19-,22-/m0/s1
• InChIKey: BDVVLNPNJZWEDW-ZLFOXAAKSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 1005.4±65.0°C at 760 mmHg (Cal.)
• Flash point: 561.8±34.3°C (Cal.)