Nh2-met-thr-trp-met-glu-trp-asp-arg-glu-ile-asn-asn-tyr-thr-ser-leu-ile-his-ser-leu-ile-glu-glu-ile-gln-asn-ile-gln-glu-lys-asn-glu-gln-ile-leu-leu-glu-leu-cooh

Structural Information

Molecular Formula

C₂₀₉H₃₂₇N₅₃O₆₇S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)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]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)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](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)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](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C209H327N53O67S2/c1-27-101(17)163(200(320)237-122(51-61-149(213)269)178(298)245-143(88-154(218)274)197(317)260-165(103(19)29-3)201(321)236-121(50-60-148(212)268)174(294)229-124(53-63-155(275)276)175(295)226-119(44-37-38-72-210)173(293)244-140(85-151(215)271)190(310)234-125(54-64-156(277)278)176(296)228-123(52-62-150(214)270)182(302)256-166(104(20)30-4)203(323)248-133(77-97(9)10)186(306)239-132(76-96(7)8)185(305)233-127(56-66-158(281)282)180(300)252-145(208(328)329)80-100(15)16)255-184(304)130(59-69-161(287)288)232-177(297)128(57-67-159(283)284)238-202(322)164(102(18)28-2)258-194(314)134(78-98(11)12)240-198(318)146(93-263)253-189(309)139(84-112-92-221-95-225-112)250-204(324)168(106(22)32-6)259-195(315)135(79-99(13)14)241-199(319)147(94-264)254-207(327)170(108(24)266)262-196(316)136(81-109-46-48-113(267)49-47-109)242-191(311)141(86-152(216)272)246-192(312)142(87-153(217)273)251-205(325)167(105(21)31-5)257-183(303)129(58-68-160(285)286)231-172(292)120(45-39-73-222-209(219)220)227-193(313)144(89-162(289)290)247-188(308)137(82-110-90-223-117-42-35-33-40-114(110)117)243-179(299)126(55-65-157(279)280)230-181(301)131(71-75-331-26)235-187(307)138(83-111-91-224-118-43-36-34-41-115(111)118)249-206(326)169(107(23)265)261-171(291)116(211)70-74-330-25/h33-36,40-43,46-49,90-92,95-108,116,119-147,163-170,223-224,263-267H,27-32,37-39,44-45,50-89,93-94,210-211H2,1-26H3,(H2,212,268)(H2,213,269)(H2,214,270)(H2,215,271)(H2,216,272)(H2,217,273)(H2,218,274)(H,221,225)(H,226,295)(H,227,313)(H,228,296)(H,229,294)(H,230,301)(H,231,292)(H,232,297)(H,233,305)(H,234,310)(H,235,307)(H,236,321)(H,237,320)(H,238,322)(H,239,306)(H,240,318)(H,241,319)(H,242,311)(H,243,299)(H,244,293)(H,245,298)(H,246,312)(H,247,308)(H,248,323)(H,249,326)(H,250,324)(H,251,325)(H,252,300)(H,253,309)(H,254,327)(H,255,304)(H,256,302)(H,257,303)(H,258,314)(H,259,315)(H,260,317)(H,261,291)(H,262,316)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,328,329)(H4,219,220,222)/t101-,102-,103-,104-,105-,106-,107+,108+,116-,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-,145-,146-,147-,163-,164-,165-,166-,167-,168-,169-,170-/m0/s1

InChIKey

GPYAGUIQCCYBET-RQQSPQKISA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-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-[[(2S,3R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]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]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134223