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

Structural Information

Molecular Formula

C₁₉₀H₂₉₉N₅₇O₆₂

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)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](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/C190H299N57O62/c1-24-87(9)146(245-159(281)99(21)219-161(283)112(42-33-71-206-188(199)200)227-180(302)131(81-144(269)270)242-178(300)128(78-103-82-209-108-38-28-26-36-106(103)108)239-158(280)97(19)218-165(287)119(53-63-138(257)258)234-177(299)129(79-104-83-210-109-39-29-27-37-107(104)109)243-185(307)148(101(23)249)247-182(304)145(196)100(22)248)183(305)221-98(20)155(277)225-121(55-65-140(261)262)173(295)240-127(77-102-45-47-105(250)48-46-102)175(297)220-91(13)151(273)211-92(14)152(274)222-111(41-32-70-205-187(197)198)160(282)216-95(17)154(276)224-118(52-62-137(255)256)163(285)217-96(18)157(279)238-126(75-85(5)6)181(303)246-147(88(10)25-2)184(306)236-113(43-34-72-207-189(201)202)162(284)214-89(11)149(271)212-93(15)153(275)223-115(49-59-133(192)251)168(290)232-123(57-67-142(265)266)172(294)230-116(50-60-134(193)252)169(291)229-117(51-61-135(194)253)170(292)233-122(56-66-141(263)264)171(293)226-110(40-30-31-69-191)167(289)241-130(80-136(195)254)179(301)235-120(54-64-139(259)260)164(286)215-90(12)150(272)213-94(16)156(278)237-125(74-84(3)4)176(298)228-114(44-35-73-208-190(203)204)166(288)231-124(58-68-143(267)268)174(296)244-132(186(308)309)76-86(7)8/h26-29,36-39,45-48,82-101,110-132,145-148,209-210,248-250H,24-25,30-35,40-44,49-81,191,196H2,1-23H3,(H2,192,251)(H2,193,252)(H2,194,253)(H2,195,254)(H,211,273)(H,212,271)(H,213,272)(H,214,284)(H,215,286)(H,216,282)(H,217,285)(H,218,287)(H,219,283)(H,220,297)(H,221,305)(H,222,274)(H,223,275)(H,224,276)(H,225,277)(H,226,293)(H,227,302)(H,228,298)(H,229,291)(H,230,294)(H,231,288)(H,232,290)(H,233,292)(H,234,299)(H,235,301)(H,236,306)(H,237,278)(H,238,279)(H,239,280)(H,240,295)(H,241,289)(H,242,300)(H,243,307)(H,244,296)(H,245,281)(H,246,303)(H,247,304)(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)(H4,197,198,205)(H4,199,200,206)(H4,201,202,207)(H4,203,204,208)/t87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100+,101+,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,145-,146-,147-,148-/m0/s1

InChIKey

SKHMGGJLSRKCQK-ICOMKRHGSA-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)-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]propanoyl]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]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134136