Schembl29357856

Structural Information

Molecular Formula

C₂₀₁H₃₃₃N₆₁O₅₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)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](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)C

InChI

InChI=1S/C201H333N61O55/c1-32-103(23)159(260-167(286)109(29)229-169(288)121(47-40-72-220-199(213)214)238-183(302)133(77-95(7)8)247-187(306)137(81-99(15)16)251-191(310)143(87-152(211)273)254-190(309)142(86-151(210)272)231-111(31)264)196(315)244-129(60-68-154(275)276)171(290)228-107(27)165(284)235-125(56-64-147(206)268)175(294)240-127(58-66-149(208)270)179(298)253-141(85-114-90-219-92-225-114)189(308)250-136(80-98(13)14)186(305)248-135(79-97(11)12)185(304)242-128(59-67-150(209)271)178(297)246-138(82-100(17)18)193(312)262-161(110(30)263)198(317)259-158(102(21)22)195(314)257-140(84-113-89-223-117-44-35-34-43-116(113)117)168(287)224-91-153(274)226-105(25)163(282)233-119(45-36-38-70-202)172(291)239-126(57-65-148(207)269)177(296)245-132(76-94(5)6)184(303)241-124(55-63-146(205)267)170(289)227-106(26)164(283)234-123(49-42-74-222-201(217)218)180(299)261-160(104(24)33-2)197(316)256-131(75-93(3)4)181(300)230-108(28)166(285)258-157(101(19)20)194(313)243-130(61-69-155(277)278)176(295)236-122(48-41-73-221-200(215)216)174(293)252-139(83-112-50-52-115(265)53-51-112)188(307)249-134(78-96(9)10)182(301)237-120(46-37-39-71-203)173(292)255-144(88-156(279)280)192(311)232-118(162(212)281)54-62-145(204)266/h34-35,43-44,50-53,89-90,92-110,118-144,157-161,223,263,265H,32-33,36-42,45-49,54-88,91,202-203H2,1-31H3,(H2,204,266)(H2,205,267)(H2,206,268)(H2,207,269)(H2,208,270)(H2,209,271)(H2,210,272)(H2,211,273)(H2,212,281)(H,219,225)(H,224,287)(H,226,274)(H,227,289)(H,228,290)(H,229,288)(H,230,300)(H,231,264)(H,232,311)(H,233,282)(H,234,283)(H,235,284)(H,236,295)(H,237,301)(H,238,302)(H,239,291)(H,240,294)(H,241,303)(H,242,304)(H,243,313)(H,244,315)(H,245,296)(H,246,297)(H,247,306)(H,248,305)(H,249,307)(H,250,308)(H,251,310)(H,252,293)(H,253,298)(H,254,309)(H,255,292)(H,256,316)(H,257,314)(H,258,285)(H,259,317)(H,260,286)(H,261,299)(H,262,312)(H,275,276)(H,277,278)(H,279,280)(H4,213,214,220)(H4,215,216,221)(H4,217,218,222)/t103-,104-,105-,106-,107-,108-,109-,110+,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,157-,158-,159-,160-,161-/m0/s1

InChIKey

CQADPPIIBNOYJS-AAUFXZNQSA-N

Compound name

(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-3-carboxy-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131795