Acetyl-wmewdreaeelakkaeelakkaeelakkaeelakk-nh2

Structural Information

Molecular Formula

C₁₈₅H₃₀₁N₄₉O₅₈S

SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)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)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)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)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)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)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)NC(=O)C

InChI

InChI=1S/C185H301N49O58S/c1-93(2)84-132(178(286)204-101(13)151(259)210-116(48-27-35-78-190)163(271)209-112(150(194)258)44-23-31-74-186)229-172(280)126(58-68-144(246)247)223-168(276)122(54-64-140(238)239)214-155(263)97(9)200-159(267)113(45-24-32-75-187)218-164(272)117(49-28-36-79-191)211-152(260)102(14)205-179(287)133(85-94(3)4)230-173(281)127(59-69-145(248)249)224-169(277)123(55-65-141(240)241)215-156(264)98(10)201-160(268)114(46-25-33-76-188)219-165(273)118(50-29-37-80-192)212-153(261)103(15)206-180(288)134(86-95(5)6)231-174(282)128(60-70-146(250)251)225-170(278)124(56-66-142(242)243)216-157(265)99(11)202-161(269)115(47-26-34-77-189)220-166(274)119(51-30-38-81-193)213-154(262)104(16)207-181(289)135(87-96(7)8)232-175(283)129(61-71-147(252)253)226-171(279)125(57-67-143(244)245)217-158(266)100(12)203-162(270)121(53-63-139(236)237)222-167(275)120(52-39-82-197-185(195)196)221-184(292)138(90-149(256)257)234-183(291)137(89-107-92-199-111-43-22-20-41-109(107)111)233-176(284)130(62-72-148(254)255)227-177(285)131(73-83-293-18)228-182(290)136(208-105(17)235)88-106-91-198-110-42-21-19-40-108(106)110/h19-22,40-43,91-104,112-138,198-199H,23-39,44-90,186-193H2,1-18H3,(H2,194,258)(H,200,267)(H,201,268)(H,202,269)(H,203,270)(H,204,286)(H,205,287)(H,206,288)(H,207,289)(H,208,235)(H,209,271)(H,210,259)(H,211,260)(H,212,261)(H,213,262)(H,214,263)(H,215,264)(H,216,265)(H,217,266)(H,218,272)(H,219,273)(H,220,274)(H,221,292)(H,222,275)(H,223,276)(H,224,277)(H,225,278)(H,226,279)(H,227,285)(H,228,290)(H,229,280)(H,230,281)(H,231,282)(H,232,283)(H,233,284)(H,234,291)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H4,195,196,197)/t97-,98-,99-,100-,101-,102-,103-,104-,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-,138-/m0/s1

InChIKey

ZGVOJTLLUFGYMX-ZPFHXDOYSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-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]propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 86574042