(2S)-4-[[3-[[4-(4-methoxyphenyl)azo-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]carbamoyl]phenyl]amino]-2-(2-methylpropanoyl-octadecyl-amino)-4-oxo-butanoic acid
[CAS# 97171-73-8]

Identification

• Name: (2S)-4-[[3-[[4-(4-methoxyphenyl)azo-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]carbamoyl]phenyl]amino]-2-(2-methylpropanoyl-octadecyl-amino)-4-oxo-butanoic acid
• Synonyms: N-[3-[[[4,5-dihydro-4-[(4-methoxyphenyl)azo]-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]carbonyl]phenyl]-N2-(2-methylpropionyl)-N2-octadecyl-DL-asparagine
• Molecular Formula: C₄₉H₆₄Cl₃N₇O₇
• Molecular Weight: 969.43
• CAS Registry Number: 97171-73-8
• EINECS: 306-390-1
• SMILES: CC(C)C(=O)N(CCCCCCCCCCCCCCCCCC)[C@@H](CC(=O)Nc1cccc(c1)C(=O)N/C4=N/N(c2c(Cl)cc(Cl)cc2Cl)C(=O)C4N=Nc3ccc(OC)cc3)C(O)=O
• InChI: 1S/C49H64Cl3N7O7/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-58(47(62)33(2)3)41(49(64)65)32-42(60)53-37-23-21-22-34(29-37)46(61)54-45-43(56-55-36-24-26-38(66-4)27-25-36)48(63)59(57-45)44-39(51)30-35(50)31-40(44)52/h21-27,29-31,33,41,43H,5-20,28,32H2,1-4H3,(H,53,60)(H,64,65)(H,54,57,61)/t41-,43?/m0/s1
• InChIKey: ZSZZBTFRBZAVHV-MTSCCGHGSA-N

Properties

• Density: 1.269g/cm³ (Cal.)