Ac-lys-ile-glu-glu-ile-glu-ser-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

C₂₀₉H₃₆₅N₅₇O₅₅

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

InChI

InChI=1S/C209H365N57O55/c1-33-111(21)162(200(314)243-130(65-47-54-90-214)178(292)238-136(71-79-152(218)271)181(295)251-144(96-106(11)12)192(306)240-135(70-78-151(217)270)175(289)230-119(29)172(286)233-133(68-57-93-226-208(222)223)189(303)264-169(118(28)40-8)206(320)249-143(171(221)285)95-105(9)10)257-155(274)103-229-174(288)148(100-123-102-228-125-60-42-41-59-124(123)125)255-198(312)161(110(19)20)258-207(321)170(121(31)268)266-196(310)147(99-109(17)18)252-182(296)137(72-80-153(219)272)241-193(307)145(97-107(13)14)253-194(308)146(98-108(15)16)250-179(293)127(62-44-51-87-211)235-176(290)128(63-45-52-88-212)244-202(316)165(114(24)36-4)263-188(302)134(69-58-94-227-209(224)225)234-173(287)120(30)231-199(313)163(112(22)34-2)259-191(305)142(77-85-160(283)284)242-195(309)149(101-154(220)273)254-183(297)139(74-82-157(277)278)247-204(318)167(116(26)38-6)262-186(300)131(66-48-55-91-215)236-177(291)129(64-46-53-89-213)245-201(315)164(113(23)35-3)261-187(301)132(67-49-56-92-216)237-197(311)150(104-267)256-184(298)140(75-83-158(279)280)248-205(319)168(117(27)39-7)265-190(304)141(76-84-159(281)282)239-180(294)138(73-81-156(275)276)246-203(317)166(115(25)37-5)260-185(299)126(232-122(32)269)61-43-50-86-210/h41-42,59-60,102,105-121,126-150,161-170,228,267-268H,33-40,43-58,61-101,103-104,210-216H2,1-32H3,(H2,217,270)(H2,218,271)(H2,219,272)(H2,220,273)(H2,221,285)(H,229,288)(H,230,289)(H,231,313)(H,232,269)(H,233,286)(H,234,287)(H,235,290)(H,236,291)(H,237,311)(H,238,292)(H,239,294)(H,240,306)(H,241,307)(H,242,309)(H,243,314)(H,244,316)(H,245,315)(H,246,317)(H,247,318)(H,248,319)(H,249,320)(H,250,293)(H,251,295)(H,252,296)(H,253,308)(H,254,297)(H,255,312)(H,256,298)(H,257,274)(H,258,321)(H,259,305)(H,260,299)(H,261,301)(H,262,300)(H,263,302)(H,264,303)(H,265,304)(H,266,310)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H4,222,223,226)(H4,224,225,227)/t111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121+,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-/m0/s1

InChIKey

CFGHKEUFCKLIRM-NAUYFJJISA-N

Compound name

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

Related CIDs

• CID 16130751