Nh2-met-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

C₁₈₈H₃₀₃N₅₇O₆₀S

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](CCSC)N

InChI

InChI=1S/C188H303N57O60S/c1-26-87(10)143(242-157(277)100(23)218-159(279)110(44-35-70-203-185(195)196)224-178(298)129(81-142(265)266)239-176(296)126(78-102-82-207-107-41-31-29-39-104(102)107)237-156(276)98(21)216-163(283)118(52-62-136(253)254)231-175(295)127(79-103-83-208-108-42-32-30-40-105(103)108)240-183(303)146(101(24)246)245-158(278)106(190)68-74-306-25)180(300)219-99(22)153(273)222-117(51-61-135(251)252)161(281)214-92(15)148(268)209-90(13)147(267)210-94(17)151(271)220-113(47-38-73-206-188(201)202)173(293)243-144(88(11)27-2)182(302)234-120(54-64-138(257)258)164(284)217-97(20)155(275)236-125(76-85(6)7)179(299)244-145(89(12)28-3)181(301)233-111(45-36-71-204-186(197)198)160(280)213-91(14)149(269)211-95(18)152(272)221-114(48-58-131(191)247)167(287)229-122(56-66-140(261)262)171(291)227-115(49-59-132(192)248)168(288)226-116(50-60-133(193)249)169(289)230-121(55-65-139(259)260)170(290)223-109(43-33-34-69-189)166(286)238-128(80-134(194)250)177(297)232-119(53-63-137(255)256)162(282)215-93(16)150(270)212-96(19)154(274)235-124(75-84(4)5)174(294)225-112(46-37-72-205-187(199)200)165(285)228-123(57-67-141(263)264)172(292)241-130(184(304)305)77-86(8)9/h29-32,39-42,82-101,106,109-130,143-146,207-208,246H,26-28,33-38,43-81,189-190H2,1-25H3,(H2,191,247)(H2,192,248)(H2,193,249)(H2,194,250)(H,209,268)(H,210,267)(H,211,269)(H,212,270)(H,213,280)(H,214,281)(H,215,282)(H,216,283)(H,217,284)(H,218,279)(H,219,300)(H,220,271)(H,221,272)(H,222,273)(H,223,290)(H,224,298)(H,225,294)(H,226,288)(H,227,291)(H,228,285)(H,229,287)(H,230,289)(H,231,295)(H,232,297)(H,233,301)(H,234,302)(H,235,274)(H,236,275)(H,237,276)(H,238,286)(H,239,296)(H,240,303)(H,241,292)(H,242,277)(H,243,293)(H,244,299)(H,245,278)(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)(H4,195,196,203)(H4,197,198,204)(H4,199,200,205)(H4,201,202,206)/t87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101+,106-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,143-,144-,145-,146-/m0/s1

InChIKey

IHHMQVLSRPTRCL-RVZJQTIASA-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)-2-amino-4-methylsulfanylbutanoyl]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 16134141