T-290676

Structural Information

Molecular Formula

C₁₉₇H₃₁₀N₅₈O₆₅

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](CO)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](CCC(=O)O)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/C197H310N58O65/c1-24-91(10)151(252-164(291)101(20)223-165(292)114(42-33-73-212-194(204)205)231-186(313)136(84-150(281)282)249-184(311)133(81-106-85-216-111-39-29-27-37-109(106)111)245-162(289)98(17)221-167(294)121(53-64-142(265)266)238-183(310)134(82-107-86-217-112-40-30-28-38-110(107)112)250-192(319)155(103(22)258)255-193(320)154(102(21)257)226-104(23)259)189(316)225-100(19)160(287)229-125(57-68-146(273)274)179(306)247-132(80-105-46-48-108(260)49-47-105)181(308)224-94(13)157(284)218-95(14)158(285)227-117(45-36-76-215-197(210)211)180(307)253-152(92(11)25-2)191(318)242-123(55-66-144(269)270)169(296)222-97(16)161(288)244-131(79-90(8)9)187(314)254-153(93(12)26-3)190(317)241-115(43-34-74-213-195(206)207)166(293)219-99(18)163(290)251-137(87-256)188(315)240-120(52-63-140(201)263)174(301)237-127(59-70-148(277)278)176(303)234-118(50-61-138(199)261)172(299)233-119(51-62-139(200)262)173(300)236-126(58-69-147(275)276)175(302)230-113(41-31-32-72-198)171(298)248-135(83-141(202)264)185(312)239-122(54-65-143(267)268)168(295)220-96(15)159(286)228-124(56-67-145(271)272)178(305)246-130(78-89(6)7)182(309)232-116(44-35-75-214-196(208)209)170(297)235-128(60-71-149(279)280)177(304)243-129(156(203)283)77-88(4)5/h27-30,37-40,46-49,85-86,88-103,113-137,151-155,216-217,256-258,260H,24-26,31-36,41-45,50-84,87,198H2,1-23H3,(H2,199,261)(H2,200,262)(H2,201,263)(H2,202,264)(H2,203,283)(H,218,284)(H,219,293)(H,220,295)(H,221,294)(H,222,296)(H,223,292)(H,224,308)(H,225,316)(H,226,259)(H,227,285)(H,228,286)(H,229,287)(H,230,302)(H,231,313)(H,232,309)(H,233,299)(H,234,303)(H,235,297)(H,236,300)(H,237,301)(H,238,310)(H,239,312)(H,240,315)(H,241,317)(H,242,318)(H,243,304)(H,244,288)(H,245,289)(H,246,305)(H,247,306)(H,248,298)(H,249,311)(H,250,319)(H,251,290)(H,252,291)(H,253,307)(H,254,314)(H,255,320)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H4,204,205,212)(H4,206,207,213)(H4,208,209,214)(H4,210,211,215)/t91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102+,103+,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-,151-,152-,153-,154-,155-/m0/s1

InChIKey

BMXLBTYWZCSSFY-HJPMTXKTSA-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)-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]-4-carboxy-1-oxobutan-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]-3-hydroxy-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 49768004