N-Acetyl-O((2,6-dichlorophenyl)methyl)-L-tyrosyl-L-isoleucyl-L-asparaginyl-L-leucyl-L-isoleucyl-D-threonyl-L-arginyl-L-glutaminyl-L-arginyl-L-tyrosine
[CAS# 140842-17-7]

Identification

• Name: N-Acetyl-O((2,6-dichlorophenyl)methyl)-L-tyrosyl-L-isoleucyl-L-asparaginyl-L-leucyl-L-isoleucyl-D-threonyl-L-arginyl-L-glutaminyl-L-arginyl-L-tyrosine
• Synonyms: L-Tyrosine, N-Acetyl-O((2,6-Dichlorophenyl)Methyl)-L-Tyrosyl-L-Isoleucyl-L-Asparaginyl-L-Leucyl-L-Isoleucyl-D-Threonyl-L-Anginyl-L-Glutaminyl-L-Arginyl-; N-Acetyl-O((2,6-Dichlorophenyl)Methyl)-L-Tyrosyl-L-Isoleucyl-L-Asparaginyl-L-Leucyl-L-Isoleucyl-D-Threonyl-L-Anginyl-L-Glutaminyl-L-Arginyl-L-Tyrosine; Pyx 1
• Molecular Formula: C₇₀H₁₀₅Cl₂N₁₉O₁₆
• Molecular Weight: 1539.62
• CAS Registry Number: 140842-17-7
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)C)CC1=CC(=C(O)C=C1)CC2=C(C=CC=C2Cl)Cl)=O)[C@H](CC)C)=O)CC(=O)N)=O)CC(C)C)=O)[C@H](CC)C)=O)[C@H](C)O)=O)CCCNC(=N)N)=O)CCC(=O)N)=O)CCCNC(=N)N)=O)CC3=CC=C(O)C=C3
• InChI: 1S/C70H105Cl2N19O16/c1-9-35(5)56(89-65(104)51(82-38(8)93)31-40-20-24-53(95)41(29-40)32-43-44(71)14-11-15-45(43)72)66(105)88-52(33-55(74)97)63(102)87-50(28-34(3)4)64(103)90-57(36(6)10-2)67(106)91-58(37(7)92)68(107)85-47(17-13-27-81-70(78)79)60(99)84-48(23-25-54(73)96)62(101)83-46(16-12-26-80-69(76)77)61(100)86-49(59(75)98)30-39-18-21-42(94)22-19-39/h11,14-15,18-22,24,29,34-37,46-52,56-58,92,94-95H,9-10,12-13,16-17,23,25-28,30-33H2,1-8H3,(H2,73,96)(H2,74,97)(H2,75,98)(H,82,93)(H,83,101)(H,84,99)(H,85,107)(H,86,100)(H,87,102)(H,88,105)(H,89,104)(H,90,103)(H,91,106)(H4,76,77,80)(H4,78,79,81)/t35-,36-,37-,46-,47-,48-,49-,50-,51-,52-,56-,57-,58+/m0/s1
• InChIKey: LNUMCIVYAIEPPL-XFBIFGDYSA-N

Properties

• Density: 1.44g/cm³ (Cal.)