Ac-nnlaraieaqahllqltvwgikqlqarilaverylkdq-conh2

Structural Information

Molecular Formula

C₁₉₉H₃₃₀N₆₀O₅₄

SMILES

CC[C@H](C)[C@@H](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](CC1=CC=C(C=C1)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)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](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/C199H330N60O54/c1-33-101(22)156(193(310)239-120(48-39-41-71-201)172(289)236-126(59-66-146(205)266)176(293)243-132(77-94(8)9)182(299)237-125(58-65-145(204)265)170(287)223-104(25)161(278)232-123(51-44-74-219-199(214)215)178(295)258-158(103(24)35-3)195(312)252-131(76-93(6)7)180(297)228-108(29)165(282)255-154(99(18)19)191(308)240-129(62-69-152(273)274)175(292)234-122(50-43-73-218-198(212)213)174(291)249-137(82-112-52-54-115(262)55-53-112)185(302)247-133(78-95(10)11)181(298)235-119(47-38-40-70-200)173(290)251-142(87-153(275)276)189(306)230-118(160(209)277)56-63-143(202)263)254-150(270)90-221-167(284)138(83-113-88-220-117-46-37-36-45-116(113)117)253-192(309)155(100(20)21)256-196(313)159(110(31)260)259-190(307)136(81-98(16)17)244-177(294)127(60-67-147(206)267)238-183(300)134(79-96(12)13)246-184(301)135(80-97(14)15)248-186(303)139(84-114-89-216-91-222-114)242-164(281)107(28)225-169(286)124(57-64-144(203)264)233-163(280)105(26)224-171(288)128(61-68-151(271)272)241-194(311)157(102(23)34-2)257-166(283)109(30)226-168(285)121(49-42-72-217-197(210)211)231-162(279)106(27)227-179(296)130(75-92(4)5)245-188(305)141(86-149(208)269)250-187(304)140(85-148(207)268)229-111(32)261/h36-37,45-46,52-55,88-89,91-110,118-142,154-159,220,260,262H,33-35,38-44,47-51,56-87,90,200-201H2,1-32H3,(H2,202,263)(H2,203,264)(H2,204,265)(H2,205,266)(H2,206,267)(H2,207,268)(H2,208,269)(H2,209,277)(H,216,222)(H,221,284)(H,223,287)(H,224,288)(H,225,286)(H,226,285)(H,227,296)(H,228,297)(H,229,261)(H,230,306)(H,231,279)(H,232,278)(H,233,280)(H,234,292)(H,235,298)(H,236,289)(H,237,299)(H,238,300)(H,239,310)(H,240,308)(H,241,311)(H,242,281)(H,243,293)(H,244,294)(H,245,305)(H,246,301)(H,247,302)(H,248,303)(H,249,291)(H,250,304)(H,251,290)(H,252,312)(H,253,309)(H,254,270)(H,255,282)(H,256,313)(H,257,283)(H,258,295)(H,259,307)(H,271,272)(H,273,274)(H,275,276)(H4,210,211,217)(H4,212,213,218)(H4,214,215,219)/t101-,102-,103-,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-,154-,155-,156-,157-,158-,159-/m0/s1

InChIKey

IXNQNYKARVUBBJ-UXXXZELESA-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]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-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]-3-methyl-1-oxopentan-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-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197395