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

Structural Information

Molecular Formula

C₁₉₄H₃₀₃N₅₅O₆₈

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)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](C)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](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)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](CCC(=O)O)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/C194H303N55O68/c1-22-88(10)149(245-173(298)111(41-33-71-210-194(206)207)223-183(308)133(84-251)244-190(315)152(98(20)253)248-182(307)125(75-100-42-44-103(255)45-43-100)236-169(294)120(54-65-144(271)272)231-179(304)129(79-138(200)260)241-188(313)151(90(12)24-3)246-174(299)122(56-67-146(275)276)229-161(286)110(40-32-70-209-193(204)205)222-180(305)130(80-147(277)278)239-178(303)126(76-101-81-211-106-36-27-25-34-104(101)106)237-170(295)119(53-64-143(269)270)228-168(293)118(52-63-142(267)268)230-177(302)127(77-102-82-212-107-37-28-26-35-105(102)107)240-189(314)153(99(21)254)249-185(310)148(201)97(19)252)187(312)233-121(55-66-145(273)274)172(297)243-132(83-250)184(309)235-124(73-86(6)7)181(306)247-150(89(11)23-2)186(311)232-109(39-31-69-208-192(202)203)160(285)216-92(14)155(280)214-94(16)157(282)219-112(46-57-134(196)256)163(288)226-117(51-62-141(265)266)167(292)225-113(47-58-135(197)257)164(289)224-114(48-59-136(198)258)165(290)227-116(50-61-140(263)264)166(291)221-108(38-29-30-68-195)162(287)238-128(78-137(199)259)176(301)217-93(15)156(281)213-91(13)154(279)215-95(17)159(284)234-123(72-85(4)5)175(300)218-96(18)158(283)220-115(49-60-139(261)262)171(296)242-131(191(316)317)74-87(8)9/h25-28,34-37,42-45,81-82,85-99,108-133,148-153,211-212,250-255H,22-24,29-33,38-41,46-80,83-84,195,201H2,1-21H3,(H2,196,256)(H2,197,257)(H2,198,258)(H2,199,259)(H2,200,260)(H,213,281)(H,214,280)(H,215,279)(H,216,285)(H,217,301)(H,218,300)(H,219,282)(H,220,283)(H,221,291)(H,222,305)(H,223,308)(H,224,289)(H,225,292)(H,226,288)(H,227,290)(H,228,293)(H,229,286)(H,230,302)(H,231,304)(H,232,311)(H,233,312)(H,234,284)(H,235,309)(H,236,294)(H,237,295)(H,238,287)(H,239,303)(H,240,314)(H,241,313)(H,242,296)(H,243,297)(H,244,315)(H,245,298)(H,246,299)(H,247,306)(H,248,307)(H,249,310)(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,277,278)(H,316,317)(H4,202,203,208)(H4,204,205,209)(H4,206,207,210)/t88-,89-,90-,91-,92-,93-,94-,95-,96-,97+,98+,99+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,148-,149-,150-,151-,152-,153-/m0/s1

InChIKey

JYCAKLNTNSETNZ-NBRYOROASA-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,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-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]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]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]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134208