T-267228

Structural Information

Molecular Formula

C₁₉₈H₃₁₆N₅₆O₆₀

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(C)C)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/C198H316N56O60/c1-30-95(14)152(251-167(287)107(26)224-168(288)120(48-39-75-211-195(203)204)232-188(308)141(87-151(275)276)249-187(307)139(85-112-88-215-117-45-35-33-43-115(112)117)245-166(286)105(24)222-171(291)127(59-68-145(263)264)239-186(306)140(86-113-89-216-118-46-36-34-44-116(113)118)250-193(313)156(109(28)256)254-194(314)155(108(27)255)227-110(29)257)190(310)226-106(25)163(283)230-129(61-70-147(267)268)179(299)248-138(84-111-52-54-114(258)55-53-111)182(302)225-100(19)160(280)217-101(20)161(281)228-123(51-42-78-214-198(209)210)181(301)252-153(96(15)31-2)192(312)241-128(60-69-146(265)266)172(292)223-104(23)165(285)244-137(83-94(12)13)189(309)253-154(97(16)32-3)191(311)240-121(49-40-76-212-196(205)206)169(289)220-98(17)158(278)218-102(21)162(282)229-124(56-65-142(200)259)175(295)236-132(64-73-150(273)274)180(300)247-136(82-93(10)11)184(304)237-125(57-66-143(201)260)176(296)235-130(62-71-148(269)270)177(297)231-119(47-37-38-74-199)174(294)246-135(81-92(8)9)185(305)238-126(58-67-144(261)262)170(290)221-99(18)159(279)219-103(22)164(284)243-134(80-91(6)7)183(303)233-122(50-41-77-213-197(207)208)173(293)234-131(63-72-149(271)272)178(298)242-133(157(202)277)79-90(4)5/h33-36,43-46,52-55,88-109,119-141,152-156,215-216,255-256,258H,30-32,37-42,47-51,56-87,199H2,1-29H3,(H2,200,259)(H2,201,260)(H2,202,277)(H,217,280)(H,218,278)(H,219,279)(H,220,289)(H,221,290)(H,222,291)(H,223,292)(H,224,288)(H,225,302)(H,226,310)(H,227,257)(H,228,281)(H,229,282)(H,230,283)(H,231,297)(H,232,308)(H,233,303)(H,234,293)(H,235,296)(H,236,295)(H,237,304)(H,238,305)(H,239,306)(H,240,311)(H,241,312)(H,242,298)(H,243,284)(H,244,285)(H,245,286)(H,246,294)(H,247,300)(H,248,299)(H,249,307)(H,250,313)(H,251,287)(H,252,301)(H,253,309)(H,254,314)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H4,203,204,211)(H4,205,206,212)(H4,207,208,213)(H4,209,210,214)/t95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108+,109+,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,152-,153-,154-,155-,156-/m0/s1

InChIKey

OAWNKQDOCVYNTH-SSPCGERVSA-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)-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]-4-methyl-1-oxopentan-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 49768015