Ns4a-derived peptide 57

Structural Information

Molecular Formula

C₁₁₁H₂₀₄N₃₈O₂₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C111H204N38O25/c1-20-61(15)84(147-105(172)86(63(17)22-3)145-94(161)69(37-29-45-125-109(118)119)132-77(152)53-130-99(166)80(57(7)8)141-103(170)87(64(18)23-4)146-101(168)82(59(11)12)142-100(167)81(58(9)10)140-96(163)74(55-151)134-79(154)52-128-91(158)68(35-25-27-43-113)136-90(157)66(114)34-24-26-42-112)102(169)138-72(50-56(5)6)95(162)139-73(54-150)92(159)129-51-78(153)133-71(39-31-47-127-111(122)123)106(173)148-48-32-40-75(148)97(164)131-65(19)89(156)144-85(62(16)21-2)104(171)143-83(60(13)14)107(174)149-49-33-41-76(149)98(165)137-70(38-30-46-126-110(120)121)93(160)135-67(88(115)155)36-28-44-124-108(116)117/h56-76,80-87,150-151H,20-55,112-114H2,1-19H3,(H2,115,155)(H,128,158)(H,129,159)(H,130,166)(H,131,164)(H,132,152)(H,133,153)(H,134,154)(H,135,160)(H,136,157)(H,137,165)(H,138,169)(H,139,162)(H,140,163)(H,141,170)(H,142,167)(H,143,171)(H,144,156)(H,145,161)(H,146,168)(H,147,172)(H4,116,117,124)(H4,118,119,125)(H4,120,121,126)(H4,122,123,127)/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,80-,81-,82-,83-,84-,85-,86-,87-/m0/s1

InChIKey

AVICWNLTZFVYIE-WYFRNWMZSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxamide

Related CIDs

• CID 16130509