Pki peptide (6-24)

Structural Information

Molecular Formula

C₉₀H₁₄₁N₃₁O₂₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1C=NC=N1)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C90H141N31O29/c1-10-41(3)68(120-82(144)56(30-48-18-13-12-14-19-48)113-81(143)59(34-65(129)130)112-71(133)43(5)106-78(140)55(115-83(145)67(92)46(8)123)31-49-23-25-51(125)26-24-49)85(147)108-44(6)72(134)118-61(39-122)74(136)103-37-63(127)110-53(21-16-28-101-89(95)96)77(139)121-70(47(9)124)84(146)104-38-64(128)109-52(20-15-27-100-88(93)94)75(137)111-54(22-17-29-102-90(97)98)76(138)114-58(33-62(91)126)79(141)107-45(7)73(135)119-69(42(4)11-2)86(148)116-57(32-50-36-99-40-105-50)80(142)117-60(87(149)150)35-66(131)132/h12-14,18-19,23-26,36,40-47,50,52-61,67-70,122-125H,10-11,15-17,20-22,27-35,37-39,92H2,1-9H3,(H2,91,126)(H,103,136)(H,104,146)(H,106,140)(H,107,141)(H,108,147)(H,109,128)(H,110,127)(H,111,137)(H,112,133)(H,113,143)(H,114,138)(H,115,145)(H,116,148)(H,117,142)(H,118,134)(H,119,135)(H,120,144)(H,121,139)(H,129,130)(H,131,132)(H,149,150)(H4,93,94,100)(H4,95,96,101)(H4,97,98,102)/t41-,42-,43-,44-,45-,46+,47+,50?,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,67-,68-,69-,70-/m0/s1

InChIKey

NBNUEAFSTNVCPT-GRHHDRIGSA-N

Compound name

(2S)-2-[[(2S)-2-[[(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-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-methylpentanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]butanedioic acid

Related CIDs

• CID 16132237