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

Structural Information

Molecular Formula

C₂₀₅H₃₀₆N₅₄O₇₃

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](CCCCNC(=O)COCCOCCNC(=O)CCN2C(=O)C=CC2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC3=CN=CN3)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)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)NC(=O)C

InChI

InChI=1S/C205H306N54O73/c1-17-100(12)166(201(327)241-128(51-66-163(290)291)181(307)233-127(50-65-162(288)289)186(312)254-143(93-260)200(326)239-120(43-56-147(210)267)182(308)249-139(86-149(212)269)192(318)235-119(42-55-146(209)266)177(303)228-117(40-53-144(207)264)175(301)230-121(44-59-156(276)277)178(304)226-114(33-24-26-69-206)173(299)248-138(85-148(211)268)193(319)238-123(46-61-158(280)281)179(305)229-118(41-54-145(208)265)176(302)231-124(47-62-159(282)283)183(309)243-131(78-97(6)7)188(314)242-130(77-96(4)5)170(296)171(215)297)256-198(324)133(80-99(10)11)245-184(310)126(49-64-161(286)287)237-191(317)137(84-108-92-218-95-224-108)252-202(328)168(102(14)19-3)257-197(323)132(79-98(8)9)244-174(300)115(34-25-27-70-219-153(273)94-332-76-75-331-74-72-220-152(272)68-73-259-154(274)57-58-155(259)275)240-204(330)169(103(15)261)258-199(325)134(81-105-36-38-109(263)39-37-105)246-194(320)140(87-150(213)270)250-195(321)141(88-151(214)271)253-203(329)167(101(13)18-2)255-187(313)129(52-67-164(292)293)234-172(298)116(35-28-71-221-205(216)217)227-196(322)142(89-165(294)295)251-190(316)136(83-107-91-223-113-32-23-21-30-111(107)113)247-185(311)125(48-63-160(284)285)232-180(306)122(45-60-157(278)279)236-189(315)135(225-104(16)262)82-106-90-222-112-31-22-20-29-110(106)112/h20-23,29-32,36-39,57-58,90-92,95-103,114-143,166-169,222-223,260-261,263H,17-19,24-28,33-35,40-56,59-89,93-94,206H2,1-16H3,(H2,207,264)(H2,208,265)(H2,209,266)(H2,210,267)(H2,211,268)(H2,212,269)(H2,213,270)(H2,214,271)(H2,215,297)(H,218,224)(H,219,273)(H,220,272)(H,225,262)(H,226,304)(H,227,322)(H,228,303)(H,229,305)(H,230,301)(H,231,302)(H,232,306)(H,233,307)(H,234,298)(H,235,318)(H,236,315)(H,237,317)(H,238,319)(H,239,326)(H,240,330)(H,241,327)(H,242,314)(H,243,309)(H,244,300)(H,245,310)(H,246,320)(H,247,311)(H,248,299)(H,249,308)(H,250,321)(H,251,316)(H,252,328)(H,253,329)(H,254,312)(H,255,313)(H,256,324)(H,257,323)(H,258,325)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H4,216,217,221)/t100-,101-,102-,103+,114-,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-,166-,167-,168-,169-/m0/s1

InChIKey

RIYOKILJLYEJBB-WTPNCWHFSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-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)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-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-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanoyl]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-amino-5-oxopentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(3S)-1-amino-5-methyl-1,2-dioxohexan-3-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 16131998