C34-89.6/lai

Structural Information

Molecular Formula

C₁₉₅H₂₈₄N₄₈O₆₉S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)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](CC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)C

InChI

InChI=1S/C195H284N48O69S/c1-16-92(10)157(191(309)225-121(54-66-152(269)270)170(288)217-120(53-65-151(267)268)174(292)239-138(88-244)190(308)223-114(47-59-142(200)253)171(289)233-133(81-144(202)255)181(299)220-113(46-58-141(199)252)166(284)213-111(44-56-139(197)250)164(282)215-115(48-60-146(257)258)167(285)211-109(30-23-24-69-196)163(281)232-132(80-143(201)254)182(300)222-117(50-62-148(261)262)169(287)214-112(45-57-140(198)251)165(283)216-118(51-63-149(263)264)172(290)227-125(73-90(6)7)177(295)226-124(161(204)279)72-89(4)5)241-187(305)126(74-91(8)9)228-184(302)135(83-154(273)274)235-178(296)127(75-97-32-38-102(247)39-33-97)236-192(310)159(94(12)18-3)242-188(306)128(76-98-34-40-103(248)41-35-98)230-185(303)137(85-156(277)278)238-194(312)160(95(13)245)243-189(307)129(77-99-36-42-104(249)43-37-99)229-183(301)134(82-145(203)256)234-186(304)136(84-155(275)276)237-193(311)158(93(11)17-2)240-176(294)122(55-67-153(271)272)219-162(280)110(31-25-70-207-195(205)206)212-168(286)116(49-61-147(259)260)221-180(298)131(79-101-87-209-108-29-22-20-27-106(101)108)231-173(291)119(52-64-150(265)266)218-175(293)123(68-71-313-15)224-179(297)130(210-96(14)246)78-100-86-208-107-28-21-19-26-105(100)107/h19-22,26-29,32-43,86-87,89-95,109-138,157-160,208-209,244-245,247-249H,16-18,23-25,30-31,44-85,88,196H2,1-15H3,(H2,197,250)(H2,198,251)(H2,199,252)(H2,200,253)(H2,201,254)(H2,202,255)(H2,203,256)(H2,204,279)(H,210,246)(H,211,285)(H,212,286)(H,213,284)(H,214,287)(H,215,282)(H,216,283)(H,217,288)(H,218,293)(H,219,280)(H,220,299)(H,221,298)(H,222,300)(H,223,308)(H,224,297)(H,225,309)(H,226,295)(H,227,290)(H,228,302)(H,229,301)(H,230,303)(H,231,291)(H,232,281)(H,233,289)(H,234,304)(H,235,296)(H,236,310)(H,237,311)(H,238,312)(H,239,292)(H,240,294)(H,241,305)(H,242,306)(H,243,307)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H4,205,206,207)/t92-,93-,94-,95+,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-,138-,157-,158-,159-,160-/m0/s1

InChIKey

QLNVLICRCHHRAH-LOELSBAKSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-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]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133684