Schembl29523151

Structural Information

Molecular Formula

C₂₀₃H₃₃₅N₆₁O₅₅

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)N4CCC[C@H]4C(=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](CC5=CC=C(C=C5)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/C203H335N61O55/c1-31-105(23)161(261-168(287)110(28)230-170(289)122(47-39-73-222-201(215)216)238-184(303)134(79-97(7)8)248-188(307)138(83-101(15)16)252-192(311)144(89-154(213)275)255-191(310)143(88-153(212)274)232-112(30)266)198(317)245-130(61-69-156(277)278)172(291)229-108(26)166(285)235-126(57-65-149(208)270)176(295)240-128(59-67-151(210)272)180(299)254-142(87-115-92-221-94-227-115)190(309)251-137(82-100(13)14)187(306)249-136(81-99(11)12)186(305)242-129(60-68-152(211)273)179(298)247-139(84-102(17)18)194(313)263-163(111(29)265)200(319)260-160(104(21)22)197(316)258-141(86-114-91-225-118-44-34-33-43-117(114)118)169(288)226-93-155(276)264-76-42-50-146(264)195(314)243-121(46-36-38-72-205)173(292)239-127(58-66-150(209)271)178(297)246-133(78-96(5)6)185(304)241-125(56-64-148(207)269)171(290)228-107(25)165(284)234-124(49-41-75-224-203(219)220)181(300)262-162(106(24)32-2)199(318)257-132(77-95(3)4)182(301)231-109(27)167(286)259-159(103(19)20)196(315)244-131(62-70-157(279)280)177(296)236-123(48-40-74-223-202(217)218)175(294)253-140(85-113-51-53-116(267)54-52-113)189(308)250-135(80-98(9)10)183(302)237-120(45-35-37-71-204)174(293)256-145(90-158(281)282)193(312)233-119(164(214)283)55-63-147(206)268/h33-34,43-44,51-54,91-92,94-111,119-146,159-163,225,265,267H,31-32,35-42,45-50,55-90,93,204-205H2,1-30H3,(H2,206,268)(H2,207,269)(H2,208,270)(H2,209,271)(H2,210,272)(H2,211,273)(H2,212,274)(H2,213,275)(H2,214,283)(H,221,227)(H,226,288)(H,228,290)(H,229,291)(H,230,289)(H,231,301)(H,232,266)(H,233,312)(H,234,284)(H,235,285)(H,236,296)(H,237,302)(H,238,303)(H,239,292)(H,240,295)(H,241,304)(H,242,305)(H,243,314)(H,244,315)(H,245,317)(H,246,297)(H,247,298)(H,248,307)(H,249,306)(H,250,308)(H,251,309)(H,252,311)(H,253,294)(H,254,299)(H,255,310)(H,256,293)(H,257,318)(H,258,316)(H,259,286)(H,260,319)(H,261,287)(H,262,300)(H,263,313)(H,277,278)(H,279,280)(H,281,282)(H4,215,216,222)(H4,217,218,223)(H4,219,220,224)/t105-,106-,107-,108-,109-,110-,111+,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-,145-,146-,159-,160-,161-,162-,163-/m0/s1

InChIKey

OUGJBJVORYBXTO-IGWBDXHVSA-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)-2-[[(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]carbamoyl]pyrrolidin-1-yl]-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 16130100