cis-N-Acetyl-3-(3-Quinolinyl)-D-Alanyl-4-Chloro-D-Phenylalanyl-3-(3-Pyridinyl)-D-Alanyl-L-seryl-3-(4-((Pyrazinylcarbonyl)Amino)Cyclohexyl)-L-Alanyl-N6-(2-Pyridinylcarbonyl)-D-Lysyl-L-Valyl-L-Arginyl-L-Prolyl-D-Alaninamide
[CAS# 138111-67-8]

Identification

• Name: cis-N-Acetyl-3-(3-Quinolinyl)-D-Alanyl-4-Chloro-D-Phenylalanyl-3-(3-Pyridinyl)-D-Alanyl-L-seryl-3-(4-((Pyrazinylcarbonyl)Amino)Cyclohexyl)-L-Alanyl-N6-(2-Pyridinylcarbonyl)-D-Lysyl-L-Valyl-L-Arginyl-L-Prolyl-D-Alaninamide
• Synonyms: N-Ac-3-Qal-4Clphe-3-Pal-Ser-Pzacala-Piclys-Val-Arg-Pro-Alanh2; N-Acetyl-3-(3-Quinolyl)Alanyl-3-(4-Chlorophenyl)Alanyl-3-(3-Pyridyl)Alanyl-Seryl-3-(4-Pyrazinylcarbonylaminocyclohexyl)Alanyl-N(Epsilon)Picolinoyllysyl-Valyl-Arginyl-Prolyl-Alaninamide; Qcpppvapa
• Molecular Formula: C₇₉H₁₀₂ClN₂₁O₁₄
• Molecular Weight: 1605.26
• CAS Registry Number: 138111-67-8
• 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)C(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/C79H102ClN21O14/c1-45(2)65(98-67(105)54(81)16-7-9-31-91-69(107)59-18-8-10-30-89-59)71(109)96-60(19-12-32-92-78(85)86)74(112)99-35-13-20-64(99)76(114)101(73(111)57(84)38-47-21-25-52(80)26-22-47)79(4,66(104)61(94-46(3)103)40-50-36-51-15-5-6-17-58(51)93-42-50)77(115)100(75(113)63(44-102)97-68(106)55(82)39-49-14-11-29-87-41-49)72(110)56(83)37-48-23-27-53(28-24-48)95-70(108)62-43-88-33-34-90-62/h5-6,8,10-11,14-15,17-18,21-22,25-26,29-30,33-34,36,41-43,45,48,53-57,60-61,63-65,102H,7,9,12-13,16,19-20,23-24,27-28,31-32,35,37-40,44,81-84H2,1-4H3,(H,91,107)(H,94,103)(H,95,108)(H,96,109)(H,97,106)(H,98,105)(H4,85,86,92)/t48?,53?,54-,55-,56+,57-,60+,61-,63+,64+,65+,79+/m1/s1
• InChIKey: SZRIOVPVLPDSEJ-MQPGEAFOSA-N

Properties

• Density: 1.44g/cm³ (Cal.)