Nh2-met-thr-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-ala-glu-ala-ala-leu-arg-glu-leu-cooh

Structural Information

Molecular Formula

C₁₉₃H₃₀₆N₅₆O₆₀S

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](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](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](CCSC)N

InChI

InChI=1S/C193H306N56O60S/c1-26-91(10)148(246-162(281)104(23)221-165(284)116(44-35-74-207-190(199)200)229-183(302)135(85-147(269)270)243-182(301)133(83-107-86-211-113-41-31-29-39-110(107)113)241-161(280)102(21)219-168(287)124(56-66-141(257)258)236-181(300)134(84-108-87-212-114-42-32-30-40-111(108)114)244-188(307)151(105(24)250)249-163(282)112(195)72-78-310-25)185(304)223-103(22)158(277)227-126(58-68-143(261)262)176(295)242-132(82-106-48-50-109(251)51-49-106)179(298)222-96(15)154(273)213-97(16)155(274)224-119(47-38-77-210-193(205)206)178(297)247-149(92(11)27-2)187(306)238-125(57-67-142(259)260)169(288)220-101(20)160(279)240-131(80-89(6)7)184(303)248-150(93(12)28-3)186(305)237-117(45-36-75-208-191(201)202)166(285)216-94(13)152(271)214-98(17)156(275)225-120(52-62-137(196)252)171(290)234-128(60-70-145(265)266)175(294)232-121(53-63-138(197)253)172(291)231-122(54-64-139(198)254)173(292)235-127(59-69-144(263)264)174(293)228-115(43-33-34-73-194)164(283)218-100(19)157(276)226-123(55-65-140(255)256)167(286)217-95(14)153(272)215-99(18)159(278)239-130(79-88(4)5)180(299)230-118(46-37-76-209-192(203)204)170(289)233-129(61-71-146(267)268)177(296)245-136(189(308)309)81-90(8)9/h29-32,39-42,48-51,86-105,112,115-136,148-151,211-212,250-251H,26-28,33-38,43-47,52-85,194-195H2,1-25H3,(H2,196,252)(H2,197,253)(H2,198,254)(H,213,273)(H,214,271)(H,215,272)(H,216,285)(H,217,286)(H,218,283)(H,219,287)(H,220,288)(H,221,284)(H,222,298)(H,223,304)(H,224,274)(H,225,275)(H,226,276)(H,227,277)(H,228,293)(H,229,302)(H,230,299)(H,231,291)(H,232,294)(H,233,289)(H,234,290)(H,235,292)(H,236,300)(H,237,305)(H,238,306)(H,239,278)(H,240,279)(H,241,280)(H,242,295)(H,243,301)(H,244,307)(H,245,296)(H,246,281)(H,247,297)(H,248,303)(H,249,282)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,308,309)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)(H4,205,206,210)/t91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105+,112-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,148-,149-,150-,151-/m0/s1

InChIKey

QCVDDXYQBAXJII-CMTJBSSNSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-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]-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]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134142