Ac-cggieaqqhllqltvwgikqlqarilaverylkdq conh2

Structural Information

Molecular Formula

C₁₈₃H₃₀₀N₅₂O₅₀S

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@@H](C)CC)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)C)NC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)C

InChI

InChI=1S/C183H300N52O50S/c1-29-95(20)147(231-141(248)84-202-154(258)129(77-105-80-199-110-41-33-32-40-108(105)110)229-177(281)146(94(18)19)233-181(285)150(102(27)237)235-175(279)127(75-92(14)15)221-164(268)119(55-63-138(191)245)216-170(274)125(73-90(10)11)222-171(275)126(74-91(12)13)224-173(277)130(78-106-81-196-86-203-106)226-165(269)118(54-62-137(190)244)214-161(265)116(52-60-135(188)242)210-152(256)99(24)205-157(261)120(56-64-142(249)250)219-179(283)148(96(21)30-2)230-140(247)83-200-139(246)82-201-155(259)132(85-286)207-103(28)238)178(282)217-112(43-35-37-67-185)158(262)213-117(53-61-136(189)243)163(267)220-123(71-88(6)7)169(273)215-115(51-59-134(187)241)156(260)204-98(23)151(255)209-114(45-39-69-198-183(194)195)166(270)234-149(97(22)31-3)180(284)228-122(70-87(4)5)167(271)206-100(25)153(257)232-145(93(16)17)176(280)218-121(57-65-143(251)252)162(266)211-113(44-38-68-197-182(192)193)160(264)225-128(76-104-46-48-107(239)49-47-104)172(276)223-124(72-89(8)9)168(272)212-111(42-34-36-66-184)159(263)227-131(79-144(253)254)174(278)208-109(101(26)236)50-58-133(186)240/h32-33,40-41,46-49,80-81,86-100,102,109,111-132,145-150,199,237,239,286H,29-31,34-39,42-45,50-79,82-85,184-185H2,1-28H3,(H2,186,240)(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H2,191,245)(H,196,203)(H,200,246)(H,201,259)(H,202,258)(H,204,260)(H,205,261)(H,206,271)(H,207,238)(H,208,278)(H,209,255)(H,210,256)(H,211,266)(H,212,272)(H,213,262)(H,214,265)(H,215,273)(H,216,274)(H,217,282)(H,218,280)(H,219,283)(H,220,267)(H,221,268)(H,222,275)(H,223,276)(H,224,277)(H,225,264)(H,226,269)(H,227,263)(H,228,284)(H,229,281)(H,230,247)(H,231,248)(H,232,257)(H,233,285)(H,234,270)(H,235,279)(H,249,250)(H,251,252)(H,253,254)(H4,192,193,197)(H4,194,195,198)/t95-,96-,97-,98-,99-,100-,102+,109-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,145-,146-,147-,148-,149-,150-/m0/s1

InChIKey

XTFWSLOVUAVSDT-UVMRKYPKSA-N

Compound name

(4S)-4-[[(2S,3S)-2-[[2-[[2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]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)-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]-5-oxopentanoic acid

Related CIDs

• CID 16197381