Ns4a-derived peptide 54

Structural Information

Molecular Formula

C₁₆₃H₂₇₀N₄₄O₄₇

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](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=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/C163H270N44O47/c1-24-87(19)128(205-157(250)130(89(21)26-3)203-140(233)97(44-35-63-174-161(168)169)181-116(212)77-179-151(244)124(83(11)12)199-155(248)131(90(22)27-4)204-153(246)126(85(15)16)200-152(245)125(84(13)14)198-148(241)112(79-209)183-118(214)76-177-134(227)96(43-32-34-62-165)184-133(226)95(166)42-31-33-61-164)154(247)196-106(70-82(9)10)143(236)197-111(78-208)135(228)178-75-117(213)182-102(46-37-65-176-163(172)173)158(251)206-66-38-47-113(206)149(242)180-91(23)132(225)202-129(88(20)25-2)156(249)201-127(86(17)18)159(252)207-67-39-48-114(207)150(243)195-110(74-123(223)224)146(239)185-98(45-36-64-175-162(170)171)136(229)186-100(54-58-119(215)216)138(231)190-104(68-80(5)6)141(234)191-105(69-81(7)8)142(235)193-108(72-93-49-51-94(210)52-50-93)144(237)188-99(53-57-115(167)211)137(230)187-101(55-59-120(217)218)139(232)192-107(71-92-40-29-28-30-41-92)145(238)194-109(73-122(221)222)147(240)189-103(160(253)254)56-60-121(219)220/h28-30,40-41,49-52,80-91,95-114,124-131,208-210H,24-27,31-39,42-48,53-79,164-166H2,1-23H3,(H2,167,211)(H,177,227)(H,178,228)(H,179,244)(H,180,242)(H,181,212)(H,182,213)(H,183,214)(H,184,226)(H,185,239)(H,186,229)(H,187,230)(H,188,237)(H,189,240)(H,190,231)(H,191,234)(H,192,232)(H,193,235)(H,194,238)(H,195,243)(H,196,247)(H,197,236)(H,198,241)(H,199,248)(H,200,245)(H,201,249)(H,202,225)(H,203,233)(H,204,246)(H,205,250)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,223,224)(H,253,254)(H4,168,169,174)(H4,170,171,175)(H4,172,173,176)/t87-,88-,89-,90-,91-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,124-,125-,126-,127-,128-,129-,130-,131-/m0/s1

InChIKey

BVJTXNKJGZDYFW-HLSANWFJSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-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-carbonyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]pentanedioic acid

Related CIDs

• CID 16130510