Ytslihslieeqnqqekneqelleldkwaslwnf

Structural Information

Molecular Formula

C₁₉₁H₂₈₈N₄₈O₆₃

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](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)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC7=CC=C(C=C7)O)N

InChI

InChI=1S/C191H288N48O63/c1-19-95(15)154(237-182(292)126(70-93(11)12)223-186(296)138(86-242)235-177(287)130(76-103-83-202-88-205-103)231-189(299)155(96(16)20-2)238-183(293)127(71-94(13)14)224-187(297)139(87-243)236-190(300)156(98(18)244)239-158(268)107(194)72-100-40-42-104(245)43-41-100)188(298)218-121(53-63-152(263)264)166(276)213-120(52-62-151(261)262)170(280)234-137(85-241)184(294)217-115(47-57-143(198)249)167(277)228-132(78-145(200)251)178(288)214-114(46-56-142(197)248)163(273)209-112(44-54-140(195)246)161(271)211-116(48-58-147(253)254)164(274)207-110(38-28-30-64-192)160(270)227-131(77-144(199)250)179(289)216-117(49-59-148(255)256)165(275)210-113(45-55-141(196)247)162(272)212-118(50-60-149(257)258)168(278)219-123(67-90(5)6)173(283)221-122(66-89(3)4)172(282)215-119(51-61-150(259)260)169(279)220-124(68-91(7)8)175(285)230-134(80-153(265)266)181(291)208-111(39-29-31-65-193)159(269)225-128(74-101-81-203-108-36-26-24-34-105(101)108)171(281)206-97(17)157(267)233-136(84-240)185(295)222-125(69-92(9)10)174(284)226-129(75-102-82-204-109-37-27-25-35-106(102)109)176(286)229-133(79-146(201)252)180(290)232-135(191(301)302)73-99-32-22-21-23-33-99/h21-27,32-37,40-43,81-83,88-98,107,110-139,154-156,203-204,240-245H,19-20,28-31,38-39,44-80,84-87,192-194H2,1-18H3,(H2,195,246)(H2,196,247)(H2,197,248)(H2,198,249)(H2,199,250)(H2,200,251)(H2,201,252)(H,202,205)(H,206,281)(H,207,274)(H,208,291)(H,209,273)(H,210,275)(H,211,271)(H,212,272)(H,213,276)(H,214,288)(H,215,282)(H,216,289)(H,217,294)(H,218,298)(H,219,278)(H,220,279)(H,221,283)(H,222,295)(H,223,296)(H,224,297)(H,225,269)(H,226,284)(H,227,270)(H,228,277)(H,229,286)(H,230,285)(H,231,299)(H,232,290)(H,233,267)(H,234,280)(H,235,287)(H,236,300)(H,237,292)(H,238,293)(H,239,268)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,301,302)/t95-,96-,97-,98+,107-,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-,139-,154-,155-,156-/m0/s1

InChIKey

QIFSELWEDTUCIM-YOELXGKZSA-N

Compound name

(4S)-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]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]-4-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-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-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 86574963