Nh2-pro-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-asn-glu-ala-ala-leu-arg-glu-leu-cooh

Structural Information

Molecular Formula

C₁₉₈H₃₁₂N₅₈O₆₃

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)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)NC(=O)[C@@H]6CCCN6

InChI

InChI=1S/C198H312N58O63/c1-25-92(10)151(252-165(289)104(22)226-167(291)117(45-35-75-213-195(204)205)233-187(311)137(86-150(278)279)249-185(309)134(83-108-87-217-113-41-30-28-39-111(108)113)246-164(288)102(20)224-170(294)124(56-66-143(264)265)240-184(308)135(84-109-88-218-114-42-31-29-40-112(109)114)250-192(316)154(105(23)257)256-193(317)155(106(24)258)255-166(290)115-44-34-74-212-115)189(313)228-103(21)161(285)231-127(59-69-146(270)271)179(303)247-133(82-107-49-51-110(259)52-50-107)182(306)227-97(15)158(282)219-98(16)159(283)229-120(48-38-78-216-198(210)211)181(305)253-152(93(11)26-2)191(315)243-126(58-68-145(268)269)171(295)225-101(19)163(287)245-132(80-90(6)7)188(312)254-153(94(12)27-3)190(314)242-118(46-36-76-214-196(206)207)168(292)222-95(13)156(280)220-99(17)160(284)230-121(53-63-139(200)260)174(298)238-129(61-71-148(274)275)178(302)236-122(54-64-140(201)261)175(299)235-123(55-65-141(202)262)176(300)239-128(60-70-147(272)273)177(301)232-116(43-32-33-73-199)173(297)248-136(85-142(203)263)186(310)241-125(57-67-144(266)267)169(293)223-96(14)157(281)221-100(18)162(286)244-131(79-89(4)5)183(307)234-119(47-37-77-215-197(208)209)172(296)237-130(62-72-149(276)277)180(304)251-138(194(318)319)81-91(8)9/h28-31,39-42,49-52,87-106,115-138,151-155,212,217-218,257-259H,25-27,32-38,43-48,53-86,199H2,1-24H3,(H2,200,260)(H2,201,261)(H2,202,262)(H2,203,263)(H,219,282)(H,220,280)(H,221,281)(H,222,292)(H,223,293)(H,224,294)(H,225,295)(H,226,291)(H,227,306)(H,228,313)(H,229,283)(H,230,284)(H,231,285)(H,232,301)(H,233,311)(H,234,307)(H,235,299)(H,236,302)(H,237,296)(H,238,298)(H,239,300)(H,240,308)(H,241,310)(H,242,314)(H,243,315)(H,244,286)(H,245,287)(H,246,288)(H,247,303)(H,248,297)(H,249,309)(H,250,316)(H,251,304)(H,252,289)(H,253,305)(H,254,312)(H,255,290)(H,256,317)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,318,319)(H4,204,205,213)(H4,206,207,214)(H4,208,209,215)(H4,210,211,216)/t92-,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-,137-,138-,151-,152-,153-,154-,155-/m0/s1

InChIKey

NADTUPSKLDTVNF-OYSTUGBHSA-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)-5-carbamimidamido-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]propanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]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 16134151