N-Benzoylvalylglycyl-N⁵-(diaminomethylene)-N-(4-nitrophenyl)ornithinamide hydrochloride (1:1)
[CAS# 64815-80-1]

Identification

• Name: N-Benzoylvalylglycyl-N⁵-(diaminomethylene)-N-(4-nitrophenyl)ornithinamide hydrochloride (1:1)
• Synonyms: N-Benzoyl-Val-Gly-Arg p-nitroanilide hydrochloride; B4758_SIGMA
• Molecular Formula: C₂₆H₃₅ClN₈O₆
• Molecular Weight: 591.06
• CAS Registry Number: 64815-80-1
• SMILES: O=C(Nc1ccc(cc1)[N+]([O-])=O)C(NC(=O)CNC(=O)C(NC(=O)c2ccccc2)C(C)C)CCC/N=C(\N)N.Cl
• InChI: 1S/C26H34N8O6.ClH/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;/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);1H
• InChIKey: MLHRHUKHWCVSAU-UHFFFAOYSA-N

Properties

• Boiling point: 988.9°C at 760 mmHg (Cal.)
• Flash point: 551.8°C (Cal.)