Peptide histidine isoleucine

Structural Information

Molecular Formula

C₁₃₆H₂₁₆N₃₆O₄₁

SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CN=CN4)N

InChI

InChI=1S/C136H216N36O41/c1-18-72(14)109(111(141)189)171-128(206)92(51-70(10)11)161-132(210)100(63-175)166-121(199)87(41-43-105(183)184)155-122(200)89(48-67(4)5)160-125(203)93(53-77-32-36-80(178)37-33-77)162-118(196)84(30-23-25-45-138)153-117(195)83(29-22-24-44-137)152-112(190)74(16)150-130(208)98(61-173)167-124(202)91(50-69(8)9)159-120(198)86(40-42-102(140)180)151-103(181)59-146-115(193)88(47-66(2)3)157-123(201)90(49-68(6)7)158-119(197)85(31-26-46-145-136(142)143)154-131(209)99(62-174)168-126(204)94(54-78-34-38-81(179)39-35-78)163-127(205)97(57-107(187)188)164-133(211)101(64-176)169-135(213)110(75(17)177)172-129(207)95(52-76-27-20-19-21-28-76)165-134(212)108(71(12)13)170-104(182)60-147-116(194)96(56-106(185)186)156-113(191)73(15)149-114(192)82(139)55-79-58-144-65-148-79/h19-21,27-28,32-39,58,65-75,82-101,108-110,173-179H,18,22-26,29-31,40-57,59-64,137-139H2,1-17H3,(H2,140,180)(H2,141,189)(H,144,148)(H,146,193)(H,147,194)(H,149,192)(H,150,208)(H,151,181)(H,152,190)(H,153,195)(H,154,209)(H,155,200)(H,156,191)(H,157,201)(H,158,197)(H,159,198)(H,160,203)(H,161,210)(H,162,196)(H,163,205)(H,164,211)(H,165,212)(H,166,199)(H,167,202)(H,168,204)(H,169,213)(H,170,182)(H,171,206)(H,172,207)(H,183,184)(H,185,186)(H,187,188)(H4,142,143,145)/t72-,73-,74-,75+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,108-,109-,110-/m0/s1

InChIKey

SGAKZYXFPNRMLP-RMYDINGBSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16132386