C34-ad8

Structural Information

Molecular Formula

C₁₉₀H₂₈₆N₄₈O₆₅S

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)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H]([C@@H](C)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](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)NC(=O)C

InChI

InChI=1S/C190H286N48O65S/c1-19-91(12)152(186(300)222-119(53-65-149(265)266)166(280)214-118(52-64-148(263)264)170(284)233-134(86-239)184(298)220-112(46-58-138(195)248)167(281)228-131(80-140(197)250)176(290)217-111(45-57-137(194)247)162(276)210-109(43-55-135(192)245)160(274)212-113(47-59-143(253)254)163(277)208-107(33-26-27-68-191)159(273)227-130(79-139(196)249)177(291)219-115(49-61-145(257)258)165(279)211-110(44-56-136(193)246)161(275)213-116(50-62-146(259)260)168(282)224-124(73-89(8)9)173(287)223-122(157(199)271)71-87(4)5)236-181(295)125(74-90(10)11)230-189(303)156(95(16)241)238-183(297)127(76-98-37-41-102(244)42-38-98)231-187(301)154(93(14)21-3)235-180(294)123(72-88(6)7)207-142(252)85-205-185(299)155(94(15)240)237-182(296)126(75-97-35-39-101(243)40-36-97)225-178(292)132(81-141(198)251)229-179(293)133(82-151(269)270)232-188(302)153(92(13)20-2)234-172(286)120(54-66-150(267)268)216-158(272)108(34-28-69-202-190(200)201)209-164(278)114(48-60-144(255)256)218-175(289)129(78-100-84-204-106-32-25-23-30-104(100)106)226-169(283)117(51-63-147(261)262)215-171(285)121(67-70-304-18)221-174(288)128(206-96(17)242)77-99-83-203-105-31-24-22-29-103(99)105/h22-25,29-32,35-42,83-84,87-95,107-134,152-156,203-204,239-241,243-244H,19-21,26-28,33-34,43-82,85-86,191H2,1-18H3,(H2,192,245)(H2,193,246)(H2,194,247)(H2,195,248)(H2,196,249)(H2,197,250)(H2,198,251)(H2,199,271)(H,205,299)(H,206,242)(H,207,252)(H,208,277)(H,209,278)(H,210,276)(H,211,279)(H,212,274)(H,213,275)(H,214,280)(H,215,285)(H,216,272)(H,217,290)(H,218,289)(H,219,291)(H,220,298)(H,221,288)(H,222,300)(H,223,287)(H,224,282)(H,225,292)(H,226,283)(H,227,273)(H,228,281)(H,229,293)(H,230,303)(H,231,301)(H,232,302)(H,233,284)(H,234,286)(H,235,294)(H,236,295)(H,237,296)(H,238,297)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H4,200,201,202)/t91-,92-,93-,94+,95+,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-,152-,153-,154-,155-,156-/m0/s1

InChIKey

ABPQQWAWROWGGZ-UWHMHQSFSA-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,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[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]acetyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]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 16133677