Ac-lys-ile-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

C₁₇₃H₃₀₅N₄₉O₄₁

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

InChI

InChI=1S/C173H305N49O41/c1-29-94(19)135(166(258)204-111(57-41-47-75-178)149(241)200-116(62-67-128(181)226)151(243)210-121(80-89(9)10)159(251)201-115(61-66-127(180)225)146(238)193-100(25)143(235)196-113(59-49-77-189-172(185)186)157(249)221-140(99(24)34-6)170(262)208-120(142(184)234)79-88(7)8)215-131(229)87-192-145(237)125(84-104-86-191-106-52-36-35-51-105(104)106)214-164(256)134(93(17)18)216-171(263)141(102(27)223)222-163(255)124(83-92(15)16)211-152(244)117(63-68-129(182)227)202-160(252)122(81-90(11)12)212-161(253)123(82-91(13)14)209-150(242)108(54-38-44-72-175)198-147(239)109(55-39-45-73-176)205-168(260)138(97(22)32-4)220-156(248)114(60-50-78-190-173(187)188)197-144(236)101(26)194-165(257)136(95(20)30-2)217-158(250)119(65-70-133(232)233)203-162(254)126(85-130(183)228)213-153(245)118(64-69-132(230)231)207-169(261)139(98(23)33-5)219-155(247)112(58-42-48-76-179)199-148(240)110(56-40-46-74-177)206-167(259)137(96(21)31-3)218-154(246)107(195-103(28)224)53-37-43-71-174/h35-36,51-52,86,88-102,107-126,134-141,191,223H,29-34,37-50,53-85,87,174-179H2,1-28H3,(H2,180,225)(H2,181,226)(H2,182,227)(H2,183,228)(H2,184,234)(H,192,237)(H,193,238)(H,194,257)(H,195,224)(H,196,235)(H,197,236)(H,198,239)(H,199,240)(H,200,241)(H,201,251)(H,202,252)(H,203,254)(H,204,258)(H,205,260)(H,206,259)(H,207,261)(H,208,262)(H,209,242)(H,210,243)(H,211,244)(H,212,253)(H,213,245)(H,214,256)(H,215,229)(H,216,263)(H,217,250)(H,218,246)(H,219,247)(H,220,248)(H,221,249)(H,222,255)(H,230,231)(H,232,233)(H4,185,186,189)(H4,187,188,190)/t94-,95-,96-,97-,98-,99-,100-,101-,102+,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,134-,135-,136-,137-,138-,139-,140-,141-/m0/s1

InChIKey

RIHVRPKRAQZPGK-NPYCWNBTSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-3-methylpentanoyl]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 16130753