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-glu-gln-gln-glu-lys-ile-glu-ala-ile-leu-arg-glu-leu-cooh

Structural Information

Molecular Formula

C₁₉₅H₃₁₀N₅₆O₆₁

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@@H](C)CC)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/C195H310N56O61/c1-27-91(11)149(247-163(283)104(24)222-164(284)116(46-37-75-209-192(201)202)229-183(303)135(85-147(272)273)244-182(302)133(83-108-86-213-113-43-33-31-41-111(108)113)242-162(282)102(22)220-166(286)123(57-67-140(258)259)236-181(301)134(84-109-87-214-114-44-34-32-42-112(109)114)245-190(310)153(106(26)253)251-185(305)148(200)105(25)252)186(306)224-103(23)159(279)227-126(60-70-143(264)265)175(295)243-132(82-107-50-52-110(254)53-51-107)179(299)223-97(17)156(276)215-98(18)157(277)225-119(49-40-78-212-195(207)208)178(298)249-151(93(13)29-3)189(309)239-125(59-69-142(262)263)168(288)221-101(21)161(281)241-131(80-89(7)8)184(304)250-152(94(14)30-4)187(307)237-117(47-38-76-210-193(203)204)165(285)218-95(15)154(274)216-99(19)158(278)226-120(54-64-137(197)255)170(290)234-128(62-72-145(268)269)174(294)232-121(55-65-138(198)256)171(291)231-122(56-66-139(199)257)172(292)235-127(61-71-144(266)267)173(293)228-115(45-35-36-74-196)177(297)248-150(92(12)28-2)188(308)238-124(58-68-141(260)261)167(287)219-96(16)155(275)217-100(20)160(280)240-130(79-88(5)6)180(300)230-118(48-39-77-211-194(205)206)169(289)233-129(63-73-146(270)271)176(296)246-136(191(311)312)81-90(9)10/h31-34,41-44,50-53,86-106,115-136,148-153,213-214,252-254H,27-30,35-40,45-49,54-85,196,200H2,1-26H3,(H2,197,255)(H2,198,256)(H2,199,257)(H,215,276)(H,216,274)(H,217,275)(H,218,285)(H,219,287)(H,220,286)(H,221,288)(H,222,284)(H,223,299)(H,224,306)(H,225,277)(H,226,278)(H,227,279)(H,228,293)(H,229,303)(H,230,300)(H,231,291)(H,232,294)(H,233,289)(H,234,290)(H,235,292)(H,236,301)(H,237,307)(H,238,308)(H,239,309)(H,240,280)(H,241,281)(H,242,282)(H,243,295)(H,244,302)(H,245,310)(H,246,296)(H,247,283)(H,248,297)(H,249,298)(H,250,304)(H,251,305)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,311,312)(H4,201,202,209)(H4,203,204,210)(H4,205,206,211)(H4,207,208,212)/t91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105+,106+,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-,152-,153-/m0/s1

InChIKey

ZTYFSMKBMWAOPP-YBBPMQPGSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-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]-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]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134213