N-[(1S)-1-Carboxy-3-(methylsulfanyl)propyl]-N-[{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]amino}(oxo)acetyl]-4-nitro-N-(4-nitrophenyl)anilinium
[CAS# 87498-79-1]

Identification

• Name: N-[(1S)-1-Carboxy-3-(methylsulfanyl)propyl]-N-[{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]amino}(oxo)acetyl]-4-nitro-N-(4-nitrophenyl)anilinium
• Synonyms: Oxalyl-(met-onp)2; Oxalylbis(methionyl-4-nitrophenyl ester)
• Molecular Formula: C₂₄H₂₇N₄O₁₀S₂
• Molecular Weight: 595.62
• CAS Registry Number: 87498-79-1
• SMILES: O=C(C(=O)N[C@H](C(=O)O)CCSC)[N+](c1ccc([N+]([O-])=O)cc1)(c2ccc(cc2)[N+]([O-])=O)[C@H](C(=O)O)CCSC
• InChI: 1S/C24H26N4O10S2/c1-39-13-11-19(23(31)32)25-21(29)22(30)28(20(24(33)34)12-14-40-2,17-7-3-15(4-8-17)26(35)36)18-9-5-16(6-10-18)27(37)38/h3-10,19-20H,11-14H2,1-2H3,(H2-,25,29,31,32,33,34)/p+1/t19-,20-/m0/s1
• InChIKey: HRPGSTCMTIAKAR-PMACEKPBSA-O