Protein kinase inhibitor peptide

Basic Information

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CAS Number

128022-93-5

Molecular Formula

C84H136N28O27

Molecular Weight

1970.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CCC(C)C(C(=O)NC(C)C(=O)NC(CO)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(C(C)O)NC(=O)C(C(C)O)N

InChI

InChI=1S/C84H136N28O27/c1-11-38(3)62(109-76(133)53(31-46-19-14-13-15-20-46)105-75(132)55(34-60(121)122)104-66(123)40(5)98-73(130)52(32-47-24-26-48(117)27-25-47)107-80(137)65(45(10)116)112-77(134)61(86)43(8)114)79(136)100-41(6)67(124)108-56(37-113)69(126)96-35-58(119)102-50(22-17-29-94-83(89)90)72(129)111-64(44(9)115)78(135)97-36-59(120)101-49(21-16-28-93-82(87)88)70(127)103-51(23-18-30-95-84(91)92)71(128)106-54(33-57(85)118)74(131)99-42(7)68(125)110-63(81(138)139)39(4)12-2/h13-15,19-20,24-27,38-45,49-56,61-65,113-117H,11-12,16-18,21-23,28-37,86H2,1-10H3,(H2,85,118)(H,96,126)(H,97,135)(H,98,130)(H,99,131)(H,100,136)(H,101,120)(H,102,119)(H,103,127)(H,104,123)(H,105,132)(H,106,128)(H,107,137)(H,108,124)(H,109,133)(H,110,125)(H,111,129)(H,112,134)(H,121,122)(H,138,139)(H4,87,88,93)(H4,89,90,94)(H4,91,92,95)/t38-,39-,40-,41-,42-,43+,44+,45+,49-,50-,51-,52-,53-,54-,55-,56-,61-,62-,63-,64-,65-/m0/s1

InChIKey

ZLKNTGQAQQSIFV-HQAKDUOCSA-N

LogP

-12.4797899999999

Topological Polar Surface Area

925.2600000000002 Å²

Hydrogen Bond Donor/Acceptor

40 / 55

Complexity

4200

Synonyms & References

English

Protein kinase inhibitor peptide
DTXSID30155774
128022-93-5
L-Isoleucine, L-threonyl-L-threonyl-L-tyrosyl-L-alanyl-L-alpha-aspartyl-L-phenylalanyl-L-isoleucyl-L-alanyl-L-serylglycyl-L-arginyl-L-threonylglycyl-L-arginyl-L-arginyl-L-asparaginyl-L-alanyl-
PKIP
L-Isoleucine,L-threonyl-L-threonyl-L-tyrosyl-L-alanyl-L-a-aspartyl-L-phenylalanyl-L-isoleucyl-...
L-Isoleucine,L-threonyl-L-threonyl-L-tyrosyl-L-alanyl-L-a-aspartyl-L-phenylalanyl-L-isoleucyl-L-alanyl-L-serylglycyl-L-arginy
L-Isoleucine,L-threonyl-L-threonyl-L-tyrosyl-L-alanyl-L-a-aspartyl-L-phenylalanyl-L-isoleucyl-L-alanyl-L-serylglycyl-L-arginyl-L-threonylglycyl-L-arginyl-L-arginyl-L-asparaginyl-L-alanyl-
protein kinase inhibitor peptide