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-asn-glu-gln-glu-leu-arg-glu-leu-cooh

Structural Information

Molecular Formula

C₁₉₇H₃₁₀N₅₈O₆₅

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](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)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/C197H310N58O65/c1-23-91(10)152(252-163(289)101(20)224-164(290)113(41-32-74-213-194(205)206)231-186(312)135(85-150(280)281)249-184(310)132(82-105-86-217-110-38-28-26-36-108(105)110)245-162(288)99(18)222-166(292)121(53-65-142(264)265)240-183(309)133(83-106-87-218-111-39-29-27-37-109(106)111)250-192(318)155(103(22)257)255-188(314)151(204)102(21)256)189(315)226-100(19)160(286)229-123(55-67-144(268)269)177(303)247-131(81-104-45-47-107(258)48-46-104)181(307)225-95(14)157(283)219-96(15)158(284)227-116(44-35-77-216-197(211)212)180(306)253-153(92(11)24-2)191(317)243-122(54-66-143(266)267)167(293)223-98(17)161(287)244-130(79-89(6)7)187(313)254-154(93(12)25-3)190(316)242-114(42-33-75-214-195(207)208)165(291)221-94(13)156(282)220-97(16)159(285)228-117(49-61-137(199)259)170(296)237-125(57-69-146(272)273)175(301)234-118(50-62-138(200)260)171(297)233-119(51-63-139(201)261)172(298)238-124(56-68-145(270)271)174(300)230-112(40-30-31-73-198)169(295)248-134(84-141(203)263)185(311)241-126(58-70-147(274)275)176(302)235-120(52-64-140(202)262)173(299)239-127(59-71-148(276)277)178(304)246-129(78-88(4)5)182(308)232-115(43-34-76-215-196(209)210)168(294)236-128(60-72-149(278)279)179(305)251-136(193(319)320)80-90(8)9/h26-29,36-39,45-48,86-103,112-136,151-155,217-218,256-258H,23-25,30-35,40-44,49-85,198,204H2,1-22H3,(H2,199,259)(H2,200,260)(H2,201,261)(H2,202,262)(H2,203,263)(H,219,283)(H,220,282)(H,221,291)(H,222,292)(H,223,293)(H,224,290)(H,225,307)(H,226,315)(H,227,284)(H,228,285)(H,229,286)(H,230,300)(H,231,312)(H,232,308)(H,233,297)(H,234,301)(H,235,302)(H,236,294)(H,237,296)(H,238,298)(H,239,299)(H,240,309)(H,241,311)(H,242,316)(H,243,317)(H,244,287)(H,245,288)(H,246,304)(H,247,303)(H,248,295)(H,249,310)(H,250,318)(H,251,305)(H,252,289)(H,253,306)(H,254,313)(H,255,314)(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,280,281)(H,319,320)(H4,205,206,213)(H4,207,208,214)(H4,209,210,215)(H4,211,212,216)/t91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102+,103+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,151-,152-,153-,154-,155-/m0/s1

InChIKey

VVCQZXCEGYKQLO-NZXHGHHHSA-N

Compound name

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

Related CIDs

• CID 16134198