Wmewdreieelikkseelikkieeqakkqeesakk

Structural Information

Molecular Formula

C₁₉₃H₃₁₆N₅₀O₆₂S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)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](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)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](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)N

InChI

InChI=1S/C193H316N50O62S/c1-16-100(9)154(190(302)231-130(63-75-150(262)263)173(285)222-123(56-68-143(248)249)170(282)219-121(54-66-141(203)246)161(273)210-104(13)158(270)212-113(45-24-32-79-194)162(274)215-115(47-26-34-81-196)163(275)220-122(55-67-142(204)247)169(281)221-124(57-69-144(250)251)171(283)225-129(62-74-149(260)261)178(290)238-139(96-244)186(298)211-105(14)159(271)213-114(46-25-33-80-195)167(279)233-134(192(304)305)52-31-39-86-201)240-180(292)119(51-30-38-85-200)217-165(277)118(50-29-37-84-199)230-189(301)157(103(12)19-4)243-184(296)135(89-98(5)6)234-175(287)126(59-71-146(254)255)223-172(284)125(58-70-145(252)253)228-187(299)140(97-245)239-168(280)116(48-27-35-82-197)216-164(276)117(49-28-36-83-198)229-188(300)156(102(11)18-3)242-185(297)136(90-99(7)8)235-176(288)127(60-72-147(256)257)224-174(286)131(64-76-151(264)265)232-191(303)155(101(10)17-2)241-181(293)132(65-77-152(266)267)227-166(278)120(53-40-87-207-193(205)206)218-183(295)138(93-153(268)269)237-182(294)137(92-107-95-209-112-44-23-21-42-109(107)112)236-177(289)128(61-73-148(258)259)226-179(291)133(78-88-306-15)214-160(272)110(202)91-106-94-208-111-43-22-20-41-108(106)111/h20-23,41-44,94-95,98-105,110,113-140,154-157,208-209,244-245H,16-19,24-40,45-93,96-97,194-202H2,1-15H3,(H2,203,246)(H2,204,247)(H,210,273)(H,211,298)(H,212,270)(H,213,271)(H,214,272)(H,215,274)(H,216,276)(H,217,277)(H,218,295)(H,219,282)(H,220,275)(H,221,281)(H,222,285)(H,223,284)(H,224,286)(H,225,283)(H,226,291)(H,227,278)(H,228,299)(H,229,300)(H,230,301)(H,231,302)(H,232,303)(H,233,279)(H,234,287)(H,235,288)(H,236,289)(H,237,294)(H,238,290)(H,239,280)(H,240,292)(H,241,293)(H,242,297)(H,243,296)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,304,305)(H4,205,206,207)/t100-,101-,102-,103-,104-,105-,110-,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-,138-,139-,140-,154-,155-,156-,157-/m0/s1

InChIKey

IRTPJTBZEWVMJU-YGECJRTMSA-N

Compound name

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-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)-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-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoic acid

Related CIDs

• CID 86574960