Nnllraieaqqhllqltvwgikqlqarilaverylkdq-amide

Structural Information

Molecular Formula

C₂₀₃H₃₃₈N₆₀O₅₄

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)C)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](CCC(=O)N)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](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C203H338N60O54/c1-33-105(24)161(197(314)242-123(48-39-41-73-205)174(291)238-129(59-67-150(210)270)179(296)246-135(78-96(6)7)186(303)240-127(57-65-148(208)268)172(289)228-108(27)165(282)233-126(51-44-76-224-203(219)220)182(299)262-163(107(26)35-3)199(316)256-134(77-95(4)5)183(300)231-110(29)167(284)259-159(103(20)21)195(312)243-133(63-71-157(278)279)178(295)235-125(50-43-75-223-202(217)218)176(293)253-142(85-114-52-54-117(266)55-53-114)190(307)250-137(80-98(10)11)184(301)236-122(47-38-40-72-204)175(292)255-146(90-158(280)281)193(310)232-120(112(31)264)56-64-147(207)267)258-155(275)93-226-170(287)143(86-115-91-225-121-46-37-36-45-118(115)121)257-196(313)160(104(22)23)260-200(317)164(113(32)265)263-194(311)141(84-102(18)19)247-180(297)131(61-69-152(212)272)241-187(304)138(81-99(12)13)249-188(305)139(82-100(14)15)251-191(308)144(87-116-92-221-94-227-116)254-181(298)130(60-68-151(211)271)239-177(294)128(58-66-149(209)269)234-166(283)109(28)229-173(290)132(62-70-156(276)277)244-198(315)162(106(25)34-2)261-168(285)111(30)230-171(288)124(49-42-74-222-201(215)216)237-185(302)136(79-97(8)9)248-189(306)140(83-101(16)17)252-192(309)145(89-154(214)274)245-169(286)119(206)88-153(213)273/h36-37,45-46,52-55,91-92,94-111,113,119-120,122-146,159-164,225,265-266H,33-35,38-44,47-51,56-90,93,204-206H2,1-32H3,(H2,207,267)(H2,208,268)(H2,209,269)(H2,210,270)(H2,211,271)(H2,212,272)(H2,213,273)(H2,214,274)(H,221,227)(H,226,287)(H,228,289)(H,229,290)(H,230,288)(H,231,300)(H,232,310)(H,233,282)(H,234,283)(H,235,295)(H,236,301)(H,237,302)(H,238,291)(H,239,294)(H,240,303)(H,241,304)(H,242,314)(H,243,312)(H,244,315)(H,245,286)(H,246,296)(H,247,297)(H,248,306)(H,249,305)(H,250,307)(H,251,308)(H,252,309)(H,253,293)(H,254,298)(H,255,292)(H,256,316)(H,257,313)(H,258,275)(H,259,284)(H,260,317)(H,261,285)(H,262,299)(H,263,311)(H,276,277)(H,278,279)(H,280,281)(H4,215,216,222)(H4,217,218,223)(H4,219,220,224)/t105-,106-,107-,108-,109-,110-,111-,113+,119-,120-,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-,164-/m0/s1

InChIKey

QFKVGUBZDBEZSU-LICZOTLUSA-N

Compound name

(4S)-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,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)-1-[[(3S)-6-amino-2,6-dioxohexan-3-yl]amino]-3-carboxy-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]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197380