CPP2, an extraordinary and discriminating small molecule inhibitor prominently employed in the biomedical field, exhibits its dexterous aptitude in addressing an array of ailment categories encompassing cancer, autoimmune disorders, and neurodegenerative maladies. By targeting the prodigious enzyme protein kinases, CPP2 wields unparalleled influence over vital cellular mechanisms intertwined with drug resistance, inflammation, and cellular proliferation.
CAT No: GR2230
CAS No: 1313390-49-6
Chemical Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoic acid
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M.F/Formula | C97H135N23O24 |
M.W/Mr. | 2007.25 |
InChI | InChI=1S/C97H135N23O24/c1-52(2)39-70(87(134)109-68(34-35-80(101)126)85(132)107-66(23-12-14-36-98)83(130)113-72(41-54-17-6-5-7-18-54)90(137)120-79(51-123)95(142)117-75(44-57-47-105-64-21-10-8-19-61(57)64)91(138)110-69(96(143)144)25-16-38-104-97(102)103)111-88(135)73(42-55-26-30-59(124)31-27-55)114-92(139)76(45-58-48-106-65-22-11-9-20-62(58)65)116-89(136)74(43-56-28-32-60(125)33-29-56)115-94(141)78(50-122)119-84(131)67(24-13-15-37-99)108-86(133)71(40-53(3)4)112-93(140)77(49-121)118-82(129)63(100)46-81(127)128/h5-11,17-22,26-33,47-48,52-53,63,66-79,105-106,121-125H,12-16,23-25,34-46,49-51,98-100H2,1-4H3,(H2,101,126)(H,107,132)(H,108,133)(H,109,134)(H,110,138)(H,111,135)(H,112,140)(H,113,130)(H,114,139)(H,115,141)(H,116,136)(H,117,142)(H,118,129)(H,119,131)(H,120,137)(H,127,128)(H,143,144)(H4,102,103,104)/t63-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-/m0/s1 |
InChI Key | VTUXBFWQFLTFMF-LLZZNUKMSA-N |
Canonical SMILES | CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CO)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CC=C(C=C7)O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CC(=O)O)N |
Isomeric SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N |
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