T-267226

Structural Information

Molecular Formula

C₁₉₆H₃₁₁N₅₇O₆₁

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](CC(C)C)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)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/C196H311N57O61/c1-28-92(12)150(250-165(287)104(24)223-166(288)117(46-37-73-210-193(202)203)231-186(308)138(85-149(275)276)248-184(306)135(82-109-86-214-114-43-33-31-41-112(109)114)244-164(286)102(22)221-169(291)123(56-65-142(261)262)237-183(305)136(83-110-87-215-115-44-34-32-42-113(110)115)249-191(313)154(106(26)255)253-192(314)153(105(25)254)226-107(27)256)188(310)225-103(23)161(283)229-126(59-68-145(267)268)177(299)246-134(81-108-50-52-111(257)53-51-108)180(302)224-97(17)158(280)216-98(18)159(281)227-120(49-40-76-213-196(208)209)179(301)251-151(93(13)29-2)190(312)240-125(58-67-144(265)266)170(292)222-101(21)163(285)243-133(80-91(10)11)187(309)252-152(94(14)30-3)189(311)239-118(47-38-74-211-194(204)205)167(289)219-95(15)156(278)217-99(19)160(282)228-121(54-63-139(198)258)173(295)235-129(62-71-148(273)274)178(300)245-132(79-90(8)9)182(304)236-122(55-64-140(199)259)174(296)234-127(60-69-146(269)270)175(297)230-116(45-35-36-72-197)172(294)247-137(84-141(200)260)185(307)238-124(57-66-143(263)264)168(290)220-96(16)157(279)218-100(20)162(284)242-131(78-89(6)7)181(303)232-119(48-39-75-212-195(206)207)171(293)233-128(61-70-147(271)272)176(298)241-130(155(201)277)77-88(4)5/h31-34,41-44,50-53,86-106,116-138,150-154,214-215,254-255,257H,28-30,35-40,45-49,54-85,197H2,1-27H3,(H2,198,258)(H2,199,259)(H2,200,260)(H2,201,277)(H,216,280)(H,217,278)(H,218,279)(H,219,289)(H,220,290)(H,221,291)(H,222,292)(H,223,288)(H,224,302)(H,225,310)(H,226,256)(H,227,281)(H,228,282)(H,229,283)(H,230,297)(H,231,308)(H,232,303)(H,233,293)(H,234,296)(H,235,295)(H,236,304)(H,237,305)(H,238,307)(H,239,311)(H,240,312)(H,241,298)(H,242,284)(H,243,285)(H,244,286)(H,245,300)(H,246,299)(H,247,294)(H,248,306)(H,249,313)(H,250,287)(H,251,301)(H,252,309)(H,253,314)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H4,202,203,210)(H4,204,205,211)(H4,206,207,212)(H4,208,209,213)/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-,150-,151-,152-,153-,154-/m0/s1

InChIKey

NHMRFAGRLSPYLO-FEVIWTBLSA-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)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-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]-1-oxopropan-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]-4-methyl-1-oxopentan-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 49768009