N-Acetyl-3-(3-quinolyl)alanyl-3-(4-chlorophenyl)alanyl-3-(3-pyridyl)alanyl-seryl-3-(4-pyrazinylcarbonylaminocyclohexyl)alanyl-N(epsilon)-picolinoyllysyl-leucyl-arginyl-prolyl-alaninamide
[CAS# 138111-66-7]

Identification

• Name: N-Acetyl-3-(3-quinolyl)alanyl-3-(4-chlorophenyl)alanyl-3-(3-pyridyl)alanyl-seryl-3-(4-pyrazinylcarbonylaminocyclohexyl)alanyl-N(epsilon)-picolinoyllysyl-leucyl-arginyl-prolyl-alaninamide
• Synonyms: N-Acetyl-3-(3-Quinolyl)Alanyl-3-(4-Chlorophenyl)Alanyl-3-(3-Pyridyl)Alanyl-Seryl-3-(4-Pyrazinylcarbonylaminocyclohexyl)Alanyl-N(Epsilon)-Picolinoyllysyl-Leucyl-Arginyl-Prolyl-Alaninamide; Argtide
• Molecular Formula: C₈₀H₁₀₄ClN₂₁O₁₄
• Molecular Weight: 1619.29
• CAS Registry Number: 138111-66-7
• SMILES: [C@H](N)(CC2CCC(NC(=O)C1=NC=CN=C1)CC2)C(=O)N(C(=O)[C@@](N(C(=O)[C@H]3N(CCC3)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](N)CCCCNC(=O)C4=CC=CC=N4)CC(C)C)CCCNC(N)=N)C(=O)[C@H](N)CC5=CC=C(Cl)C=C5)(C(=O)[C@H](NC(=O)C)CC7=CC6=CC=CC=C6N=C7)C)C(=O)[C@@H](NC(=O)[C@H](N)CC8=CN=CC=C8)CO
• InChI: 1S/C80H104ClN21O14/c1-46(2)36-63(98-68(106)55(82)16-7-9-31-92-70(108)60-18-8-10-30-90-60)71(109)97-61(19-12-32-93-79(86)87)75(113)100-35-13-20-66(100)77(115)102(74(112)58(85)39-48-21-25-53(81)26-22-48)80(4,67(105)62(95-47(3)104)41-51-37-52-15-5-6-17-59(52)94-43-51)78(116)101(76(114)65(45-103)99-69(107)56(83)40-50-14-11-29-88-42-50)73(111)57(84)38-49-23-27-54(28-24-49)96-72(110)64-44-89-33-34-91-64/h5-6,8,10-11,14-15,17-18,21-22,25-26,29-30,33-34,37,42-44,46,49,54-58,61-63,65-66,103H,7,9,12-13,16,19-20,23-24,27-28,31-32,35-36,38-41,45,82-85H2,1-4H3,(H,92,108)(H,95,104)(H,96,110)(H,97,109)(H,98,106)(H,99,107)(H4,86,87,93)/t49?,54?,55-,56-,57+,58-,61+,62-,63+,65+,66+,80+/m1/s1
• InChIKey: RMGMPGFOSVZOOU-KWUVUQIBSA-N

Properties

• Density: 1.43g/cm³ (Cal.)