T-267209

Structural Information

Molecular Formula

C₁₉₈H₃₁₄N₅₈O₆₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=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)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](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)C

InChI

InChI=1S/C198H314N58O62/c1-27-92(11)151(252-165(289)103(22)224-167(291)117(46-37-75-213-195(205)206)233-187(311)138(86-150(279)280)249-185(309)135(83-109-87-217-114-43-33-31-41-112(109)114)246-164(288)101(20)222-169(293)124(57-67-143(265)266)240-184(308)136(84-110-88-218-115-44-34-32-42-113(110)115)251-193(317)156(106(25)258)256-194(318)155(105(24)257)228-107(26)259)189(313)227-102(21)162(286)231-127(60-70-146(271)272)180(304)247-134(82-108-50-52-111(260)53-51-108)182(306)226-97(16)159(283)219-98(17)160(284)229-120(49-40-78-216-198(211)212)181(305)254-153(94(13)29-3)191(315)243-126(59-69-145(269)270)171(295)223-100(19)163(287)245-133(81-91(9)10)188(312)255-154(95(14)30-4)190(314)242-118(47-38-76-214-196(207)208)168(292)221-96(15)158(282)220-99(18)161(285)230-121(54-64-139(200)261)174(298)238-129(62-72-148(275)276)178(302)236-122(55-65-140(201)262)175(299)235-123(56-66-141(202)263)176(300)239-128(61-71-147(273)274)177(301)232-116(45-35-36-74-199)173(297)248-137(85-142(203)264)186(310)241-125(58-68-144(267)268)170(294)225-104(23)166(290)253-152(93(12)28-2)192(316)250-132(80-90(7)8)183(307)234-119(48-39-77-215-197(209)210)172(296)237-130(63-73-149(277)278)179(303)244-131(157(204)281)79-89(5)6/h31-34,41-44,50-53,87-106,116-138,151-156,217-218,257-258,260H,27-30,35-40,45-49,54-86,199H2,1-26H3,(H2,200,261)(H2,201,262)(H2,202,263)(H2,203,264)(H2,204,281)(H,219,283)(H,220,282)(H,221,292)(H,222,293)(H,223,295)(H,224,291)(H,225,294)(H,226,306)(H,227,313)(H,228,259)(H,229,284)(H,230,285)(H,231,286)(H,232,301)(H,233,311)(H,234,307)(H,235,299)(H,236,302)(H,237,296)(H,238,298)(H,239,300)(H,240,308)(H,241,310)(H,242,314)(H,243,315)(H,244,303)(H,245,287)(H,246,288)(H,247,304)(H,248,297)(H,249,309)(H,250,316)(H,251,317)(H,252,289)(H,253,290)(H,254,305)(H,255,312)(H,256,318)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H4,205,206,213)(H4,207,208,214)(H4,209,210,215)(H4,211,212,216)/t92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105+,106+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,151-,152-,153-,154-,155-,156-/m0/s1

InChIKey

GRIIKBZRWDSOMZ-HMARQBHNSA-N

Compound name

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

Related CIDs

• CID 49768007