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

Structural Information

Molecular Formula

C₁₉₇H₃₁₄N₅₆O₆₁

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](CC(C)C)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@@H](C)CC)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/C197H314N56O61/c1-28-93(13)151(249-163(283)104(24)222-165(285)117(47-38-74-211-194(203)204)230-185(305)137(86-149(274)275)245-183(303)134(83-109-87-215-114-44-34-32-42-112(109)114)241-162(282)102(22)220-167(287)123(57-66-142(260)261)236-182(302)135(84-110-88-216-115-45-35-33-43-113(110)115)247-192(312)155(107(27)255)253-187(307)150(202)106(26)254)188(308)225-103(23)160(280)228-126(60-69-145(266)267)175(295)243-133(82-108-51-53-111(256)54-52-108)179(299)224-98(18)157(277)217-99(19)158(278)226-120(50-41-77-214-197(209)210)178(298)251-153(95(15)30-3)190(310)239-125(59-68-144(264)265)169(289)221-101(21)161(281)240-132(80-91(9)10)186(306)252-154(96(16)31-4)189(309)238-118(48-39-75-212-195(205)206)166(286)219-97(17)156(276)218-100(20)159(279)227-121(55-64-139(199)257)172(292)234-128(62-71-147(270)271)176(296)242-130(78-89(5)6)180(300)235-122(56-65-140(200)258)173(293)233-127(61-70-146(268)269)174(294)229-116(46-36-37-73-198)171(291)244-136(85-141(201)259)184(304)237-124(58-67-143(262)263)168(288)223-105(25)164(284)250-152(94(14)29-2)191(311)246-131(79-90(7)8)181(301)231-119(49-40-76-213-196(207)208)170(290)232-129(63-72-148(272)273)177(297)248-138(193(313)314)81-92(11)12/h32-35,42-45,51-54,87-107,116-138,150-155,215-216,254-256H,28-31,36-41,46-50,55-86,198,202H2,1-27H3,(H2,199,257)(H2,200,258)(H2,201,259)(H,217,277)(H,218,276)(H,219,286)(H,220,287)(H,221,289)(H,222,285)(H,223,288)(H,224,299)(H,225,308)(H,226,278)(H,227,279)(H,228,280)(H,229,294)(H,230,305)(H,231,301)(H,232,290)(H,233,293)(H,234,292)(H,235,300)(H,236,302)(H,237,304)(H,238,309)(H,239,310)(H,240,281)(H,241,282)(H,242,296)(H,243,295)(H,244,291)(H,245,303)(H,246,311)(H,247,312)(H,248,297)(H,249,283)(H,250,284)(H,251,298)(H,252,306)(H,253,307)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,313,314)(H4,203,204,211)(H4,205,206,212)(H4,207,208,213)(H4,209,210,214)/t93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106+,107+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,150-,151-,152-,153-,154-,155-/m0/s1

InChIKey

PPCNFPWWHPANNK-MVNSIJJVSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-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]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134214