Nh2-thr-thr-trp-met-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-arg-ala-leu-cooh

Structural Information

Molecular Formula

C₁₉₁H₃₀₅N₅₇O₅₈S

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](CCCNC(=N)N)C(=O)N[C@@H](C)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](CCSC)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/C191H305N57O58S/c1-27-89(10)146(245-160(278)102(23)220-162(280)115(46-37-72-207-189(200)201)228-180(298)133(83-144(266)267)242-178(296)130(80-106-84-210-111-42-32-30-40-109(106)111)239-158(276)99(20)219-166(284)126(69-75-307-26)234-177(295)131(81-107-85-211-112-43-33-31-41-110(107)112)243-186(304)149(104(25)250)248-182(300)145(197)103(24)249)183(301)222-101(22)155(273)225-123(58-66-141(260)261)173(291)240-129(79-105-49-51-108(251)52-50-105)175(293)221-94(15)152(270)212-95(16)153(271)223-117(48-39-74-209-191(204)205)174(292)246-147(90(11)28-2)185(303)236-122(57-65-140(258)259)165(283)218-98(19)157(275)238-128(77-87(6)7)181(299)247-148(91(12)29-3)184(302)235-116(47-38-73-208-190(202)203)163(281)215-92(13)150(268)213-96(17)154(272)224-118(53-61-135(193)252)168(286)231-125(60-68-143(264)265)172(290)230-119(54-62-136(194)253)169(287)229-120(55-63-137(195)254)170(288)232-124(59-67-142(262)263)171(289)226-113(44-34-35-70-192)167(285)241-132(82-138(196)255)179(297)233-121(56-64-139(256)257)164(282)216-93(14)151(269)214-97(18)156(274)237-127(76-86(4)5)176(294)227-114(45-36-71-206-188(198)199)161(279)217-100(21)159(277)244-134(187(305)306)78-88(8)9/h30-33,40-43,49-52,84-104,113-134,145-149,210-211,249-251H,27-29,34-39,44-48,53-83,192,197H2,1-26H3,(H2,193,252)(H2,194,253)(H2,195,254)(H2,196,255)(H,212,270)(H,213,268)(H,214,269)(H,215,281)(H,216,282)(H,217,279)(H,218,283)(H,219,284)(H,220,280)(H,221,293)(H,222,301)(H,223,271)(H,224,272)(H,225,273)(H,226,289)(H,227,294)(H,228,298)(H,229,287)(H,230,290)(H,231,286)(H,232,288)(H,233,297)(H,234,295)(H,235,302)(H,236,303)(H,237,274)(H,238,275)(H,239,276)(H,240,291)(H,241,285)(H,242,296)(H,243,304)(H,244,277)(H,245,278)(H,246,292)(H,247,299)(H,248,300)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,305,306)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)(H4,204,205,209)/t89-,90-,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-,145-,146-,147-,148-,149-/m0/s1

InChIKey

ILAQHUIHWLXJPS-XTNJNUHRSA-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-methylsulfanylbutanoyl]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]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134204