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-leu-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](CC(C)C)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/c1-26-92(12)151(250-163(285)103(23)223-164(286)115(44-35-73-211-193(203)204)230-185(307)136(85-149(275)276)247-183(305)133(82-107-86-215-112-41-31-29-39-110(107)112)243-162(284)101(21)221-166(288)122(55-65-142(261)262)237-182(304)134(83-108-87-216-113-42-32-30-40-111(108)113)248-191(313)154(105(25)255)253-187(309)150(202)104(24)254)188(310)225-102(22)159(281)228-125(58-68-145(267)268)176(298)245-132(81-106-48-50-109(256)51-49-106)179(301)224-96(16)156(278)217-97(17)157(279)226-118(47-38-76-214-196(209)210)178(300)251-152(93(13)27-2)190(312)240-124(57-67-144(265)266)168(290)222-100(20)161(283)242-131(79-90(8)9)186(308)252-153(94(14)28-3)189(311)239-116(45-36-74-212-194(205)206)165(287)219-95(15)155(277)218-98(18)158(280)227-119(52-62-138(198)257)171(293)235-127(60-70-147(271)272)175(297)233-120(53-63-139(199)258)172(294)232-121(54-64-140(200)259)173(295)236-126(59-69-146(269)270)174(296)229-114(43-33-34-72-197)170(292)246-135(84-141(201)260)184(306)238-123(56-66-143(263)264)167(289)220-99(19)160(282)241-129(77-88(4)5)181(303)244-130(78-89(6)7)180(302)231-117(46-37-75-213-195(207)208)169(291)234-128(61-71-148(273)274)177(299)249-137(192(314)315)80-91(10)11/h29-32,39-42,48-51,86-105,114-137,150-154,215-216,254-256H,26-28,33-38,43-47,52-85,197,202H2,1-25H3,(H2,198,257)(H2,199,258)(H2,200,259)(H2,201,260)(H,217,278)(H,218,277)(H,219,287)(H,220,289)(H,221,288)(H,222,290)(H,223,286)(H,224,301)(H,225,310)(H,226,279)(H,227,280)(H,228,281)(H,229,296)(H,230,307)(H,231,302)(H,232,294)(H,233,297)(H,234,291)(H,235,293)(H,236,295)(H,237,304)(H,238,306)(H,239,311)(H,240,312)(H,241,282)(H,242,283)(H,243,284)(H,244,303)(H,245,298)(H,246,292)(H,247,305)(H,248,313)(H,249,299)(H,250,285)(H,251,300)(H,252,308)(H,253,309)(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)/t92-,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-,137-,150-,151-,152-,153-,154-/m0/s1

InChIKey

NJHYOBGJMHXUNO-AVIGGIIYSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-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]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134216