Protein kinase inhibitor peptide

Structural Information

Molecular Formula

C₈₄H₁₃₆N₂₈O₂₇

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](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

Compound name

(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16132113