N-Benzoyl-L-Valylglycyl-N⁵-(Diaminomethylene)-N-(4-Nitrophenyl)-L-Ornithinamide Acetate (1:1)
[CAS# 161572-28-7]

Identification

• Name: N-Benzoyl-L-Valylglycyl-N⁵-(Diaminomethylene)-N-(4-Nitrophenyl)-L-Ornithinamide Acetate (1:1)
• Synonyms: Bz-Val-Gly-Arg-4-nitroanilide acetate; N-Benzoyl-L-valyl-glycyl-L-arginine-4-nitroanilide acetate
• Molecular Formula: C₂₈H₃₈N₈O₈
• Molecular Weight: 614.65
• CAS Registry Number: 161572-28-7
• SMILES: O=C(Nc1ccc(cc1)[N+]([O-])=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)CCC/N=C(\N)N.O=C(O)C
• InChI: 1S/C26H34N8O6.C2H4O2/c1-16(2)22(33-23(36)17-7-4-3-5-8-17)25(38)30-15-21(35)32-20(9-6-14-29-26(27)28)24(37)31-18-10-12-19(13-11-18)34(39)40;1-2(3)4/h3-5,7-8,10-13,16,20,22H,6,9,14-15H2,1-2H3,(H,30,38)(H,31,37)(H,32,35)(H,33,36)(H4,27,28,29);1H3,(H,3,4)/t20-,22-;/m0./s1
• InChIKey: JWECNHBSLLUDLK-DTRWSJPISA-N

Properties

• Boiling point: 1047.2°C at 760 mmHg (Cal.)
• Flash point: 587.1°C (Cal.)
• Refractive index: (Cal.)