Ac-trp-glu-glu-trp-asp-arg-glu-ile-asn-asn-tyr-thr-glu-leu-ile-his-glu-leu-ile-glu-glu-ser-gln-asn-gln-gln-glu-lys-asn-glu-gln-glu-leu-leu-lys( n~6~-[[2-[2-[[3-(2,5-dihydro-2,5-dioxo-1h-pyrrol-1-yl)-1-oxopropyl]amino]ethoxy]ethoxy]acetyl]-)-c(=o)nh2

Structural Information

Molecular Formula

C₂₀₈H₃₁₁N₅₅O₇₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)CCN3C(=O)C=CC3=O)C(=O)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)N

InChI

InChI=1S/C208H311N55O75/c1-16-101(12)168(204(333)244-129(50-66-164(293)294)183(312)238-128(49-65-163(291)292)189(318)258-144(94-264)203(332)243-121(42-56-148(214)270)184(313)253-140(87-150(216)272)195(324)240-120(41-55-147(213)269)179(308)233-118(39-53-145(211)267)177(306)235-123(44-60-158(281)282)181(310)231-116(33-23-25-70-209)176(305)252-139(86-149(215)271)196(325)242-124(45-61-159(283)284)182(311)234-119(40-54-146(212)268)178(307)236-125(46-62-160(285)286)185(314)246-133(79-98(6)7)192(321)249-132(78-97(4)5)191(320)229-115(172(301)173(219)302)32-24-26-71-223-154(276)95-338-77-76-337-75-73-224-153(275)69-74-263-155(277)57-58-156(263)278)260-200(329)134(80-99(8)9)247-186(315)127(48-64-162(289)290)241-194(323)138(85-108-93-222-96-228-108)256-205(334)170(103(14)18-3)261-201(330)135(81-100(10)11)248-188(317)130(51-67-165(295)296)245-207(336)171(104(15)265)262-202(331)136(82-105-35-37-109(266)38-36-105)250-197(326)141(88-151(217)273)254-198(327)142(89-152(218)274)257-206(335)169(102(13)17-2)259-190(319)131(52-68-166(297)298)239-175(304)117(34-27-72-225-208(220)221)232-199(328)143(90-167(299)300)255-193(322)137(84-107-92-227-114-31-22-20-29-111(107)114)251-187(316)126(47-63-161(287)288)237-180(309)122(43-59-157(279)280)230-174(303)112(210)83-106-91-226-113-30-21-19-28-110(106)113/h19-22,28-31,35-38,57-58,91-93,96-104,112,115-144,168-171,226-227,264-266H,16-18,23-27,32-34,39-56,59-90,94-95,209-210H2,1-15H3,(H2,211,267)(H2,212,268)(H2,213,269)(H2,214,270)(H2,215,271)(H2,216,272)(H2,217,273)(H2,218,274)(H2,219,302)(H,222,228)(H,223,276)(H,224,275)(H,229,320)(H,230,303)(H,231,310)(H,232,328)(H,233,308)(H,234,311)(H,235,306)(H,236,307)(H,237,309)(H,238,312)(H,239,304)(H,240,324)(H,241,323)(H,242,325)(H,243,332)(H,244,333)(H,245,336)(H,246,314)(H,247,315)(H,248,317)(H,249,321)(H,250,326)(H,251,316)(H,252,305)(H,253,313)(H,254,327)(H,255,322)(H,256,334)(H,257,335)(H,258,318)(H,259,319)(H,260,329)(H,261,330)(H,262,331)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H4,220,221,225)/t101-,102-,103-,104+,112-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,168-,169-,170-,171-/m0/s1

InChIKey

IBJSBIVBHCVXOD-ZUSATXNMSA-N

Compound name

(4S)-4-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(3S)-1-amino-7-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-1,2-dioxoheptan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131999