Nh2-thr-thr-trp-glu-ala-trp-asp-arg-ala-ile-ala-glu-ala-ala-ala-arg-ile-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

C₁₈₇H₃₀₁N₅₇O₆₁

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](C)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](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](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C187H301N57O61/c1-26-85(10)142(241-156(277)98(23)217-157(278)108(44-35-69-202-184(194)195)223-176(297)127(79-140(265)266)238-174(295)124(76-101-80-206-105-41-31-29-39-103(101)105)236-155(276)96(21)215-161(282)116(52-62-134(253)254)230-173(294)125(77-102-81-207-106-42-32-30-40-104(102)106)239-182(303)145(100(25)246)244-178(299)141(193)99(24)245)179(300)218-97(22)152(273)221-115(51-61-133(251)252)159(280)213-90(15)147(268)208-88(13)146(267)209-92(17)150(271)219-111(47-38-72-205-187(200)201)171(292)242-143(86(11)27-2)181(302)233-118(54-64-136(257)258)162(283)216-95(20)154(275)235-123(74-83(6)7)177(298)243-144(87(12)28-3)180(301)232-109(45-36-70-203-185(196)197)158(279)212-89(14)148(269)210-93(18)151(272)220-112(48-58-129(189)247)165(286)228-120(56-66-138(261)262)169(290)226-113(49-59-130(190)248)166(287)225-114(50-60-131(191)249)167(288)229-119(55-65-137(259)260)168(289)222-107(43-33-34-68-188)164(285)237-126(78-132(192)250)175(296)231-117(53-63-135(255)256)160(281)214-91(16)149(270)211-94(19)153(274)234-122(73-82(4)5)172(293)224-110(46-37-71-204-186(198)199)163(284)227-121(57-67-139(263)264)170(291)240-128(183(304)305)75-84(8)9/h29-32,39-42,80-100,107-128,141-145,206-207,245-246H,26-28,33-38,43-79,188,193H2,1-25H3,(H2,189,247)(H2,190,248)(H2,191,249)(H2,192,250)(H,208,268)(H,209,267)(H,210,269)(H,211,270)(H,212,279)(H,213,280)(H,214,281)(H,215,282)(H,216,283)(H,217,278)(H,218,300)(H,219,271)(H,220,272)(H,221,273)(H,222,289)(H,223,297)(H,224,293)(H,225,287)(H,226,290)(H,227,284)(H,228,286)(H,229,288)(H,230,294)(H,231,296)(H,232,301)(H,233,302)(H,234,274)(H,235,275)(H,236,276)(H,237,285)(H,238,295)(H,239,303)(H,240,291)(H,241,277)(H,242,292)(H,243,298)(H,244,299)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,304,305)(H4,194,195,202)(H4,196,197,203)(H4,198,199,204)(H4,200,201,205)/t85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99+,100+,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,141-,142-,143-,144-,145-/m0/s1

InChIKey

VJNRPFRDNCSCRE-ZQUBXRHSSA-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]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]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134135