Ac-nnllraieaqqhllqltvwgikqlqariaaaxaaaadkconh2

Structural Information

Molecular Formula

C₁₈₆H₃₁₃N₅₇O₅₁

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](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)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](CC3=CN=CN3)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)NC(=O)C

InChI

InChI=1S/C186H313N57O51/c1-33-93(18)145(182(292)227-113(50-41-43-67-188)164(274)223-118(56-62-135(191)248)166(276)230-122(71-86(4)5)171(281)225-116(54-60-133(189)246)162(272)214-103(28)156(266)220-115(52-46-70-204-186(199)200)169(279)242-146(94(19)34-2)181(291)217-101(26)155(265)212-98(23)152(262)209-96(21)150(260)202-68-44-36-37-53-140(253)208-97(22)151(261)210-99(24)153(263)211-100(25)154(264)213-102(27)158(268)229-132(81-143(257)258)178(288)219-112(149(196)259)49-40-42-66-187)239-141(254)84-206-160(270)128(77-108-82-205-111-48-39-38-47-110(108)111)238-180(290)144(92(16)17)240-184(294)148(106(31)244)243-179(289)127(76-91(14)15)231-167(277)120(58-64-137(193)250)226-172(282)124(73-88(8)9)233-173(283)125(74-89(10)11)234-175(285)129(78-109-83-201-85-207-109)236-168(278)119(57-63-136(192)249)224-165(275)117(55-61-134(190)247)221-157(267)104(29)215-163(273)121(59-65-142(255)256)228-183(293)147(95(20)35-3)241-159(269)105(30)216-161(271)114(51-45-69-203-185(197)198)222-170(280)123(72-87(6)7)232-174(284)126(75-90(12)13)235-177(287)131(80-139(195)252)237-176(286)130(79-138(194)251)218-107(32)245/h38-39,47-48,82-83,85-106,112-132,144-148,205,244H,33-37,40-46,49-81,84,187-188H2,1-32H3,(H2,189,246)(H2,190,247)(H2,191,248)(H2,192,249)(H2,193,250)(H2,194,251)(H2,195,252)(H2,196,259)(H,201,207)(H,202,260)(H,206,270)(H,208,253)(H,209,262)(H,210,261)(H,211,263)(H,212,265)(H,213,264)(H,214,272)(H,215,273)(H,216,271)(H,217,291)(H,218,245)(H,219,288)(H,220,266)(H,221,267)(H,222,280)(H,223,274)(H,224,275)(H,225,281)(H,226,282)(H,227,292)(H,228,293)(H,229,268)(H,230,276)(H,231,277)(H,232,284)(H,233,283)(H,234,285)(H,235,287)(H,236,278)(H,237,286)(H,238,290)(H,239,254)(H,240,294)(H,241,269)(H,242,279)(H,243,289)(H,255,256)(H,257,258)(H4,197,198,203)(H4,199,200,204)/t93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,144-,145-,146-,147-,148-/m0/s1

InChIKey

SQABKKULWAHASD-VWMOOFEZSA-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,3S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-6-oxohexyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-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]-5-oxopentanoic acid

Related CIDs

• CID 16197385