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-val-leu-arg-glu-leu-cooh

Structural Information

Molecular Formula

C₁₉₅H₃₀₉N₅₇O₆₂

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(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/C195H309N57O62/c1-26-91(12)150(249-162(284)102(23)221-163(285)114(44-35-73-210-192(202)203)229-183(305)134(84-147(274)275)244-181(303)131(81-106-85-214-111-41-31-29-39-109(106)111)241-160(282)99(20)219-165(287)121(55-65-140(260)261)236-180(302)132(82-107-86-215-112-42-32-30-40-110(107)112)246-190(312)153(104(25)254)252-185(307)148(201)103(24)253)187(309)224-100(21)158(280)227-124(58-68-143(266)267)175(297)242-130(80-105-48-50-108(255)51-49-105)178(300)223-95(16)155(277)216-96(17)156(278)225-117(47-38-76-213-195(208)209)177(299)250-151(92(13)27-2)189(311)239-123(57-67-142(264)265)167(289)220-98(19)159(281)240-129(78-88(6)7)184(306)251-152(93(14)28-3)188(310)238-115(45-36-74-211-193(204)205)164(286)218-94(15)154(276)217-97(18)157(279)226-118(52-62-136(197)256)170(292)234-126(60-70-145(270)271)174(296)232-119(53-63-137(198)257)171(293)231-120(54-64-138(199)258)172(294)235-125(59-69-144(268)269)173(295)228-113(43-33-34-72-196)169(291)243-133(83-139(200)259)182(304)237-122(56-66-141(262)263)166(288)222-101(22)161(283)248-149(90(10)11)186(308)245-128(77-87(4)5)179(301)230-116(46-37-75-212-194(206)207)168(290)233-127(61-71-146(272)273)176(298)247-135(191(313)314)79-89(8)9/h29-32,39-42,48-51,85-104,113-135,148-153,214-215,253-255H,26-28,33-38,43-47,52-84,196,201H2,1-25H3,(H2,197,256)(H2,198,257)(H2,199,258)(H2,200,259)(H,216,277)(H,217,276)(H,218,286)(H,219,287)(H,220,289)(H,221,285)(H,222,288)(H,223,300)(H,224,309)(H,225,278)(H,226,279)(H,227,280)(H,228,295)(H,229,305)(H,230,301)(H,231,293)(H,232,296)(H,233,290)(H,234,292)(H,235,294)(H,236,302)(H,237,304)(H,238,310)(H,239,311)(H,240,281)(H,241,282)(H,242,297)(H,243,291)(H,244,303)(H,245,308)(H,246,312)(H,247,298)(H,248,283)(H,249,284)(H,250,299)(H,251,306)(H,252,307)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,313,314)(H4,202,203,210)(H4,204,205,211)(H4,206,207,212)(H4,208,209,213)/t91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103+,104+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,148-,149-,150-,151-,152-,153-/m0/s1

InChIKey

LMLJLWRIDHALJE-KVMXHRHOSA-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]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134211