Nh2-thr-thr-trp-glu-ala-trp-asp-arg-ala-ile-ala-glu-tyr-ala-ala-arg-ile-glu-ala-leu-ile-arg-ala-ala-gln-glu-gln-gln-glu-lys-asn-glu-ala-ile-leu-arg-glu-leu-cooh

Structural Information

Molecular Formula

C₁₉₆H₃₁₁N₅₇O₆₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)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)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C196H311N57O62/c1-26-91(11)150(249-162(284)102(22)222-164(286)115(45-36-74-211-193(203)204)230-184(306)135(85-148(275)276)245-182(304)132(82-107-86-215-112-42-32-30-40-110(107)112)242-161(283)100(20)220-166(288)122(56-66-141(261)262)237-181(303)133(83-108-87-216-113-43-33-31-41-111(108)113)247-191(313)154(105(25)255)253-186(308)149(202)104(24)254)187(309)225-101(21)159(281)228-125(59-69-144(267)268)176(298)243-131(81-106-49-51-109(256)52-50-106)179(301)224-96(16)156(278)217-97(17)157(279)226-118(48-39-77-214-196(209)210)178(300)251-152(93(13)28-3)189(311)240-124(58-68-143(265)266)168(290)221-99(19)160(282)241-130(79-89(7)8)185(307)252-153(94(14)29-4)188(310)239-116(46-37-75-212-194(205)206)165(287)219-95(15)155(277)218-98(18)158(280)227-119(53-63-137(198)257)171(293)235-127(61-71-146(271)272)175(297)233-120(54-64-138(199)258)172(294)232-121(55-65-139(200)259)173(295)236-126(60-70-145(269)270)174(296)229-114(44-34-35-73-197)170(292)244-134(84-140(201)260)183(305)238-123(57-67-142(263)264)167(289)223-103(23)163(285)250-151(92(12)27-2)190(312)246-129(78-88(5)6)180(302)231-117(47-38-76-213-195(207)208)169(291)234-128(62-72-147(273)274)177(299)248-136(192(314)315)80-90(9)10/h30-33,40-43,49-52,86-105,114-136,149-154,215-216,254-256H,26-29,34-39,44-48,53-85,197,202H2,1-25H3,(H2,198,257)(H2,199,258)(H2,200,259)(H2,201,260)(H,217,278)(H,218,277)(H,219,287)(H,220,288)(H,221,290)(H,222,286)(H,223,289)(H,224,301)(H,225,309)(H,226,279)(H,227,280)(H,228,281)(H,229,296)(H,230,306)(H,231,302)(H,232,294)(H,233,297)(H,234,291)(H,235,293)(H,236,295)(H,237,303)(H,238,305)(H,239,310)(H,240,311)(H,241,282)(H,242,283)(H,243,298)(H,244,292)(H,245,304)(H,246,312)(H,247,313)(H,248,299)(H,249,284)(H,250,285)(H,251,300)(H,252,307)(H,253,308)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,314,315)(H4,203,204,211)(H4,205,206,212)(H4,207,208,213)(H4,209,210,214)/t91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104+,105+,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,149-,150-,151-,152-,153-,154-/m0/s1

InChIKey

GWLVIMXTLZNCPZ-CFTAVCFQSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134179