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-ala-gln-gln-glu-ala-asn-glu-ala-ala-leu-arg-glu-leu-cooh

Structural Information

Molecular Formula

C₁₈₈H₂₉₆N₅₆O₆₀

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](C)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](C)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/C188H296N56O60/c1-27-85(10)143(241-158(277)99(24)217-159(278)110(42-34-68-202-185(194)195)224-177(296)129(79-141(264)265)238-175(294)126(76-103-80-206-108-40-32-30-38-106(103)108)235-156(275)96(21)214-164(283)118(54-63-136(254)255)229-174(293)127(77-104-81-207-109-41-33-31-39-107(104)109)239-183(302)146(101(26)246)244-179(298)142(193)100(25)245)180(299)219-98(23)153(272)223-121(57-66-139(260)261)169(288)237-125(75-102-46-48-105(247)49-47-102)172(291)218-90(15)149(268)208-91(16)150(269)220-113(45-37-71-205-188(200)201)171(290)242-144(86(11)28-2)182(301)232-120(56-65-138(258)259)165(284)216-95(20)155(274)234-124(73-83(6)7)178(297)243-145(87(12)29-3)181(300)231-111(43-35-69-203-186(196)197)160(279)211-88(13)147(266)209-92(17)151(270)221-114(50-59-131(189)248)161(280)213-94(19)152(271)222-115(51-60-132(190)249)167(286)226-116(52-61-133(191)250)168(287)227-117(53-62-135(252)253)162(281)215-97(22)157(276)236-128(78-134(192)251)176(295)230-119(55-64-137(256)257)163(282)212-89(14)148(267)210-93(18)154(273)233-123(72-82(4)5)173(292)225-112(44-36-70-204-187(198)199)166(285)228-122(58-67-140(262)263)170(289)240-130(184(303)304)74-84(8)9/h30-33,38-41,46-49,80-101,110-130,142-146,206-207,245-247H,27-29,34-37,42-45,50-79,193H2,1-26H3,(H2,189,248)(H2,190,249)(H2,191,250)(H2,192,251)(H,208,268)(H,209,266)(H,210,267)(H,211,279)(H,212,282)(H,213,280)(H,214,283)(H,215,281)(H,216,284)(H,217,278)(H,218,291)(H,219,299)(H,220,269)(H,221,270)(H,222,271)(H,223,272)(H,224,296)(H,225,292)(H,226,286)(H,227,287)(H,228,285)(H,229,293)(H,230,295)(H,231,300)(H,232,301)(H,233,273)(H,234,274)(H,235,275)(H,236,276)(H,237,288)(H,238,294)(H,239,302)(H,240,289)(H,241,277)(H,242,290)(H,243,297)(H,244,298)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,303,304)(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+,101+,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,142-,143-,144-,145-,146-/m0/s1

InChIKey

VEKHOIFYVYCOBU-KXRLJNTBSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-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]propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]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 16134158