Nh2-trp-glu-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-glu-leu-ala-cooh

Structural Information

Molecular Formula

C₁₈₈H₂₉₆N₅₆O₅₉

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](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](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)N

InChI

InChI=1S/C188H296N56O59/c1-24-88(10)145(242-157(275)100(22)216-159(277)112(42-33-71-203-185(195)196)225-179(297)132(82-144(264)265)241-177(295)130(80-104-84-208-110-40-30-28-38-107(104)110)237-156(274)98(20)214-161(279)119(53-63-137(250)251)223-158(276)108(190)79-103-83-207-109-39-29-27-37-106(103)109)181(299)218-99(21)153(271)222-122(56-66-140(256)257)171(289)239-129(78-102-46-48-105(245)49-47-102)175(293)217-93(15)150(268)209-94(16)151(269)220-115(45-36-74-206-188(201)202)173(291)243-146(89(11)25-2)183(301)234-121(55-65-139(254)255)163(281)215-97(19)155(273)236-128(77-87(8)9)180(298)244-147(90(12)26-3)182(300)233-113(43-34-72-204-186(197)198)160(278)212-91(13)148(266)210-95(17)152(270)221-116(50-60-133(191)246)166(284)230-124(58-68-142(260)261)170(288)228-117(51-61-134(192)247)167(285)227-118(52-62-135(193)248)168(286)231-123(57-67-141(258)259)169(287)224-111(41-31-32-70-189)165(283)240-131(81-136(194)249)178(296)232-120(54-64-138(252)253)162(280)213-92(14)149(267)211-96(18)154(272)235-127(76-86(6)7)176(294)226-114(44-35-73-205-187(199)200)164(282)229-125(59-69-143(262)263)172(290)238-126(75-85(4)5)174(292)219-101(23)184(302)303/h27-30,37-40,46-49,83-101,108,111-132,145-147,207-208,245H,24-26,31-36,41-45,50-82,189-190H2,1-23H3,(H2,191,246)(H2,192,247)(H2,193,248)(H2,194,249)(H,209,268)(H,210,266)(H,211,267)(H,212,278)(H,213,280)(H,214,279)(H,215,281)(H,216,277)(H,217,293)(H,218,299)(H,219,292)(H,220,269)(H,221,270)(H,222,271)(H,223,276)(H,224,287)(H,225,297)(H,226,294)(H,227,285)(H,228,288)(H,229,282)(H,230,284)(H,231,286)(H,232,296)(H,233,300)(H,234,301)(H,235,272)(H,236,273)(H,237,274)(H,238,290)(H,239,289)(H,240,283)(H,241,295)(H,242,275)(H,243,291)(H,244,298)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,302,303)(H4,195,196,203)(H4,197,198,204)(H4,199,200,205)(H4,201,202,206)/t88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,108-,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-/m0/s1

InChIKey

NWZILCLVKXMKSC-PXJKWLNJSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-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]-5-oxopentanoic acid

Related CIDs

• CID 16134187