Nh2-met-thr-trp-glu-ala-trp-asp-arg-ala-ile-ala-glu-tyr-ala-ala-arg-ile-glu-ala-leu-leu-arg-ala-ala-gln-glu-gln-gln-glu-lys-asn-glu-ala-ala-leu-arg-glu-leu-cooh

Structural Information

Molecular Formula

C₁₉₄H₃₀₇N₅₇O₆₁S

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](CC(C)C)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](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/C194H307N57O61S/c1-25-92(11)150(249-162(283)103(22)222-165(286)116(43-34-73-210-192(203)204)230-186(307)136(85-149(272)273)246-184(305)133(82-106-86-213-112-39-29-27-37-109(106)112)242-161(282)101(20)220-167(288)122(53-63-142(258)259)237-183(304)134(83-107-87-214-113-40-30-28-38-110(107)113)247-189(310)152(104(23)252)251-163(284)111(196)70-76-313-24)187(308)224-102(21)158(279)227-125(56-66-145(264)265)176(297)244-132(81-105-46-48-108(253)49-47-105)179(300)223-96(15)155(276)215-97(16)156(277)225-118(45-36-75-212-194(207)208)178(299)250-151(93(12)26-2)188(309)239-124(55-65-144(262)263)168(289)221-100(19)160(281)241-130(78-89(5)6)182(303)243-131(79-90(7)8)181(302)229-115(42-33-72-209-191(201)202)164(285)218-94(13)153(274)216-98(17)157(278)226-119(50-60-138(197)254)171(292)235-127(58-68-147(268)269)175(296)233-120(51-61-139(198)255)172(293)232-121(52-62-140(199)256)173(294)236-126(57-67-146(266)267)174(295)228-114(41-31-32-71-195)170(291)245-135(84-141(200)257)185(306)238-123(54-64-143(260)261)166(287)219-95(14)154(275)217-99(18)159(280)240-129(77-88(3)4)180(301)231-117(44-35-74-211-193(205)206)169(290)234-128(59-69-148(270)271)177(298)248-137(190(311)312)80-91(9)10/h27-30,37-40,46-49,86-104,111,114-137,150-152,213-214,252-253H,25-26,31-36,41-45,50-85,195-196H2,1-24H3,(H2,197,254)(H2,198,255)(H2,199,256)(H2,200,257)(H,215,276)(H,216,274)(H,217,275)(H,218,285)(H,219,287)(H,220,288)(H,221,289)(H,222,286)(H,223,300)(H,224,308)(H,225,277)(H,226,278)(H,227,279)(H,228,295)(H,229,302)(H,230,307)(H,231,301)(H,232,293)(H,233,296)(H,234,290)(H,235,292)(H,236,294)(H,237,304)(H,238,306)(H,239,309)(H,240,280)(H,241,281)(H,242,282)(H,243,303)(H,244,297)(H,245,291)(H,246,305)(H,247,310)(H,248,298)(H,249,283)(H,250,299)(H,251,284)(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)/t92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104+,111-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,150-,151-,152-/m0/s1

InChIKey

QKXAKHRMRUFJFO-KXLNGKMLSA-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)-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]-4-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 16134137