Twmewdreinnytslihslaeesqnqqekneqelleld

Structural Information

Molecular Formula

C₁₉₆H₂₉₇N₅₃O₇₁S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)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](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)N

InChI

InChI=1S/C196H297N53O71S/c1-18-92(13)156(247-175(299)119(48-60-153(277)278)225-161(285)107(32-26-63-210-196(207)208)218-186(310)133(78-154(279)280)240-180(304)127(72-98-81-212-105-30-23-21-28-102(98)105)236-172(296)116(45-57-150(271)272)224-174(298)120(61-64-321-17)216-160(284)103(198)71-97-80-211-104-29-22-20-27-101(97)104)193(317)242-132(77-145(206)262)185(309)239-131(76-144(205)261)184(308)235-126(70-96-33-35-100(254)36-34-96)188(312)249-158(95(16)253)194(318)246-137(85-252)191(315)234-125(69-91(11)12)187(311)248-157(93(14)19-2)192(316)241-128(73-99-82-209-86-213-99)181(305)245-136(84-251)190(314)233-121(65-87(3)4)176(300)214-94(15)159(283)215-112(41-53-146(263)264)166(290)223-118(47-59-152(275)276)173(297)244-135(83-250)189(313)229-111(40-52-141(202)258)169(293)238-130(75-143(204)260)182(306)226-110(39-51-140(201)257)165(289)219-108(37-49-138(199)255)163(287)221-113(42-54-147(265)266)167(291)217-106(31-24-25-62-197)162(286)237-129(74-142(203)259)183(307)228-114(43-55-148(267)268)168(292)220-109(38-50-139(200)256)164(288)222-115(44-56-149(269)270)170(294)230-123(67-89(7)8)178(302)232-122(66-88(5)6)177(301)227-117(46-58-151(273)274)171(295)231-124(68-90(9)10)179(303)243-134(195(319)320)79-155(281)282/h20-23,27-30,33-36,80-82,86-95,103,106-137,156-158,211-212,250-254H,18-19,24-26,31-32,37-79,83-85,197-198H2,1-17H3,(H2,199,255)(H2,200,256)(H2,201,257)(H2,202,258)(H2,203,259)(H2,204,260)(H2,205,261)(H2,206,262)(H,209,213)(H,214,300)(H,215,283)(H,216,284)(H,217,291)(H,218,310)(H,219,289)(H,220,292)(H,221,287)(H,222,288)(H,223,290)(H,224,298)(H,225,285)(H,226,306)(H,227,301)(H,228,307)(H,229,313)(H,230,294)(H,231,295)(H,232,302)(H,233,314)(H,234,315)(H,235,308)(H,236,296)(H,237,286)(H,238,293)(H,239,309)(H,240,304)(H,241,316)(H,242,317)(H,243,303)(H,244,297)(H,245,305)(H,246,318)(H,247,299)(H,248,311)(H,249,312)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,319,320)(H4,207,208,210)/t92-,93-,94-,95+,103-,106-,107-,108-,109-,110-,111-,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-,137-,156-,157-,158-/m0/s1

InChIKey

NFNRRTWLUQXSNG-AILMZOEQSA-N

Compound name

(2S)-2-[[(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)-4-amino-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,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]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]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]butanedioic acid

Related CIDs

• CID 129908896