Nh2-ala-asn-trp-lys-ala-trp-glu-ala-gln-ile-gln-lys-tyr-gln-arg-gln-ile-ala-glu-leu-ile-ala-asn-ala-lys-lys-gln-gln-glu-gln-asn-glu-lys-ala-leu-arg-glu-leu-cooh

Structural Information

Molecular Formula

C₂₀₂H₃₂₅N₆₁O₆₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)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](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)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](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)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)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)N

InChI

InChI=1S/C202H325N61O60/c1-20-99(10)160(261-188(310)130(60-72-151(215)271)245-175(297)122(48-37-83-223-201(219)220)239-178(300)126(56-68-147(211)267)248-191(313)138(88-109-50-52-112(264)53-51-109)257-177(299)121(47-31-36-82-207)238-181(303)128(58-70-149(213)269)251-199(321)162(101(12)22-3)262-187(309)129(59-71-150(214)270)234-165(287)103(14)229-172(294)131(61-73-155(275)276)249-192(314)139(89-110-94-225-115-41-25-23-39-113(110)115)254-168(290)106(17)228-171(293)118(44-28-33-79-204)240-193(315)140(90-111-95-226-116-42-26-24-40-114(111)116)258-195(317)142(92-153(217)273)252-163(285)102(13)208)197(319)231-107(18)166(288)235-132(62-74-156(277)278)185(307)256-137(86-97(6)7)196(318)263-161(100(11)21-2)198(320)232-108(19)169(291)255-141(91-152(216)272)189(311)230-104(15)164(286)233-119(45-29-34-80-205)173(295)237-120(46-30-35-81-206)174(296)242-124(54-66-145(209)265)179(301)243-125(55-67-146(210)266)180(302)247-133(63-75-157(279)280)183(305)244-127(57-69-148(212)268)184(306)259-143(93-154(218)274)194(316)250-134(64-76-158(281)282)182(304)236-117(43-27-32-78-203)170(292)227-105(16)167(289)253-136(85-96(4)5)190(312)241-123(49-38-84-224-202(221)222)176(298)246-135(65-77-159(283)284)186(308)260-144(200(322)323)87-98(8)9/h23-26,39-42,50-53,94-108,117-144,160-162,225-226,264H,20-22,27-38,43-49,54-93,203-208H2,1-19H3,(H2,209,265)(H2,210,266)(H2,211,267)(H2,212,268)(H2,213,269)(H2,214,270)(H2,215,271)(H2,216,272)(H2,217,273)(H2,218,274)(H,227,292)(H,228,293)(H,229,294)(H,230,311)(H,231,319)(H,232,320)(H,233,286)(H,234,287)(H,235,288)(H,236,304)(H,237,295)(H,238,303)(H,239,300)(H,240,315)(H,241,312)(H,242,296)(H,243,301)(H,244,305)(H,245,297)(H,246,298)(H,247,302)(H,248,313)(H,249,314)(H,250,316)(H,251,321)(H,252,285)(H,253,289)(H,254,290)(H,255,291)(H,256,307)(H,257,299)(H,258,317)(H,259,306)(H,260,308)(H,261,310)(H,262,309)(H,263,318)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,322,323)(H4,219,220,223)(H4,221,222,224)/t99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,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-,160-,161-,162-/m0/s1

InChIKey

JSDLRWGBZBULAF-NJCYMGQKSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134210