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-ala-leu-leu-glu-leu-cooh

Structural Information

Molecular Formula

C₁₉₃H₃₀₄N₅₄O₆₂

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(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)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/C193H304N54O62/c1-27-90(12)149(244-162(280)102(24)218-163(281)114(44-36-72-206-191(200)201)225-183(301)134(83-147(269)270)241-181(299)131(80-106-84-209-111-41-32-30-39-109(106)111)237-161(279)100(22)216-166(284)120(54-64-140(255)256)230-180(298)132(81-107-85-210-112-42-33-31-40-110(107)112)242-189(307)152(104(26)249)247-185(303)148(199)103(25)248)186(304)220-101(23)158(276)223-123(57-67-143(261)262)174(292)239-130(79-105-47-49-108(250)50-48-105)177(295)219-95(17)155(273)211-96(18)156(274)221-116(46-38-74-208-193(204)205)176(294)245-150(91(13)28-2)188(306)234-122(56-66-142(259)260)167(285)217-99(21)160(278)236-129(77-88(8)9)184(302)246-151(92(14)29-3)187(305)233-115(45-37-73-207-192(202)203)164(282)214-93(15)153(271)212-97(19)157(275)222-117(51-61-136(195)251)169(287)228-125(59-69-145(265)266)173(291)227-118(52-62-137(196)252)170(288)226-119(53-63-138(197)253)171(289)229-124(58-68-144(263)264)172(290)224-113(43-34-35-71-194)168(286)240-133(82-139(198)254)182(300)231-121(55-65-141(257)258)165(283)215-94(16)154(272)213-98(20)159(277)235-127(75-86(4)5)179(297)238-128(76-87(6)7)178(296)232-126(60-70-146(267)268)175(293)243-135(190(308)309)78-89(10)11/h30-33,39-42,47-50,84-104,113-135,148-152,209-210,248-250H,27-29,34-38,43-46,51-83,194,199H2,1-26H3,(H2,195,251)(H2,196,252)(H2,197,253)(H2,198,254)(H,211,273)(H,212,271)(H,213,272)(H,214,282)(H,215,283)(H,216,284)(H,217,285)(H,218,281)(H,219,295)(H,220,304)(H,221,274)(H,222,275)(H,223,276)(H,224,290)(H,225,301)(H,226,288)(H,227,291)(H,228,287)(H,229,289)(H,230,298)(H,231,300)(H,232,296)(H,233,305)(H,234,306)(H,235,277)(H,236,278)(H,237,279)(H,238,297)(H,239,292)(H,240,286)(H,241,299)(H,242,307)(H,243,293)(H,244,280)(H,245,294)(H,246,302)(H,247,303)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,308,309)(H4,200,201,206)(H4,202,203,207)(H4,204,205,208)/t90-,91-,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-/m0/s1

InChIKey

CXCZTSJBGVVBCL-RDWLBSNGSA-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]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134163