Ac-lys-gln-lys-lys-ile-glu-asn-glu-ile-ala-arg-ile-lys-lys-leu-leu-gln-leu-thr-val-trp-gly-ile-lys-gln-leu-gln-ala-arg-ile-leu-nh2

Structural Information

Molecular Formula

C₁₇₂H₃₀₂N₅₀O₄₂

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

InChI

InChI=1S/C172H302N50O42/c1-27-93(18)135(166(260)206-109(54-38-44-74-177)149(243)202-115(60-66-128(181)227)152(246)211-120(79-88(8)9)159(253)203-113(58-64-126(179)225)145(239)193-98(23)142(236)196-111(56-46-76-189-171(185)186)157(251)221-139(97(22)31-5)169(263)209-119(141(184)235)78-87(6)7)216-131(230)86-192-144(238)124(83-102-85-191-104-49-33-32-48-103(102)104)215-164(258)134(92(16)17)217-170(264)140(100(25)223)222-163(257)123(82-91(14)15)212-153(247)116(61-67-129(182)228)204-160(254)121(80-89(10)11)213-161(255)122(81-90(12)13)210-150(244)107(52-36-42-72-175)198-148(242)108(53-37-43-73-176)207-167(261)137(95(20)29-3)220-156(250)112(57-47-77-190-172(187)188)197-143(237)99(24)194-165(259)136(94(19)28-2)218-158(252)118(63-69-133(233)234)205-162(256)125(84-130(183)229)214-154(248)117(62-68-132(231)232)208-168(262)138(96(21)30-4)219-155(249)110(55-39-45-75-178)200-147(241)106(51-35-41-71-174)199-151(245)114(59-65-127(180)226)201-146(240)105(195-101(26)224)50-34-40-70-173/h32-33,48-49,85,87-100,105-125,134-140,191,223H,27-31,34-47,50-84,86,173-178H2,1-26H3,(H2,179,225)(H2,180,226)(H2,181,227)(H2,182,228)(H2,183,229)(H2,184,235)(H,192,238)(H,193,239)(H,194,259)(H,195,224)(H,196,236)(H,197,237)(H,198,242)(H,199,245)(H,200,241)(H,201,240)(H,202,243)(H,203,253)(H,204,254)(H,205,256)(H,206,260)(H,207,261)(H,208,262)(H,209,263)(H,210,244)(H,211,246)(H,212,247)(H,213,255)(H,214,248)(H,215,258)(H,216,230)(H,217,264)(H,218,252)(H,219,249)(H,220,250)(H,221,251)(H,222,257)(H,231,232)(H,233,234)(H4,185,186,189)(H4,187,188,190)/t93-,94-,95-,96-,97-,98-,99-,100+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,134-,135-,136-,137-,138-,139-,140-/m0/s1

InChIKey

JIXDCYLOSOVTHV-XQBBQYKOSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-amino-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]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130752