(ac-cys-cys-gly-gly-ile-lys-lys-lys-ile-glu-ala-ile-glu-lys-llqltvwgikqlqaril-nh2)3

Structural Information

Molecular Formula

C₁₆₁H₂₈₀N₄₄O₄₀S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)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](CC1=CNC2=CC=CC=C21)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)NC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)C

InChI

InChI=1S/C161H280N44O40S2/c1-27-87(18)127(199-122(212)77-175-121(211)76-176-137(222)116(79-246)198-153(238)117(80-247)180-95(26)207)155(240)188-101(49-36-41-65-164)141(226)182-99(47-34-39-63-162)140(225)184-103(51-38-43-67-166)147(232)203-130(90(21)30-4)158(243)190-108(56-61-124(214)215)139(224)179-93(24)135(220)202-129(89(20)29-3)157(242)191-109(57-62-125(216)217)144(229)183-100(48-35-40-64-163)143(228)193-113(72-84(12)13)151(236)196-112(71-83(10)11)150(235)187-107(55-60-120(169)210)146(231)195-114(73-85(14)15)152(237)205-132(94(25)206)160(245)201-126(86(16)17)154(239)197-115(74-96-75-174-98-46-33-32-45-97(96)98)136(221)177-78-123(213)200-128(88(19)28-2)156(241)189-102(50-37-42-66-165)142(227)185-106(54-59-119(168)209)145(230)194-111(70-82(8)9)149(234)186-105(53-58-118(167)208)138(223)178-92(23)134(219)181-104(52-44-68-173-161(171)172)148(233)204-131(91(22)31-5)159(244)192-110(133(170)218)69-81(6)7/h32-33,45-46,75,81-94,99-117,126-132,174,206,246-247H,27-31,34-44,47-74,76-80,162-166H2,1-26H3,(H2,167,208)(H2,168,209)(H2,169,210)(H2,170,218)(H,175,211)(H,176,222)(H,177,221)(H,178,223)(H,179,224)(H,180,207)(H,181,219)(H,182,226)(H,183,229)(H,184,225)(H,185,227)(H,186,234)(H,187,235)(H,188,240)(H,189,241)(H,190,243)(H,191,242)(H,192,244)(H,193,228)(H,194,230)(H,195,231)(H,196,236)(H,197,239)(H,198,238)(H,199,212)(H,200,213)(H,201,245)(H,202,220)(H,203,232)(H,204,233)(H,205,237)(H,214,215)(H,216,217)(H4,171,172,173)/t87-,88-,89-,90-,91-,92-,93-,94+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,126-,127-,128-,129-,130-,131-,132-/m0/s1

InChIKey

FYSGOWUDEAZOOJ-IVMACJKVSA-N

Compound name

(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[2-[[(2R)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-6-amino-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-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]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16134119