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

Structural Information

Molecular Formula

C₁₉₂H₃₀₆N₅₀O₆₃S

SMILES

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

InChI

InChI=1S/C192H306N50O63S/c1-13-98(8)154(239-178(291)116(44-25-32-81-198)214-161(274)115(43-24-31-80-197)228-190(303)157(101(11)245)242-185(298)134(87-102-47-49-105(246)50-48-102)233-174(287)126(58-70-148(259)260)222-171(284)129(61-73-151(265)266)229-188(301)155(99(9)14-2)240-179(292)117(45-26-33-82-199)215-162(275)118(46-34-83-207-192(205)206)216-183(296)137(91-153(269)270)236-181(294)135(89-104-93-209-110-38-19-17-36-107(104)110)234-175(288)127(59-71-149(261)262)224-177(290)131(75-84-306-12)210-158(271)108(200)88-103-92-208-109-37-18-16-35-106(103)109)187(300)227-114(42-23-30-79-196)160(273)211-112(40-21-28-77-194)163(276)232-133(86-97(6)7)184(297)241-156(100(10)15-3)189(302)230-130(62-74-152(267)268)172(285)223-128(60-72-150(263)264)176(289)237-138(94-243)186(299)226-121(53-65-142(203)249)167(280)221-123(55-67-145(253)254)170(283)218-119(51-63-140(201)247)165(278)217-120(52-64-141(202)248)166(279)220-122(54-66-144(251)252)168(281)213-113(41-22-29-78-195)164(277)235-136(90-143(204)250)182(295)225-124(56-68-146(255)256)169(282)212-111(39-20-27-76-193)159(272)219-125(57-69-147(257)258)173(286)231-132(85-96(4)5)180(293)238-139(95-244)191(304)305/h16-19,35-38,47-50,92-93,96-101,108,111-139,154-157,208-209,243-246H,13-15,20-34,39-46,51-91,94-95,193-200H2,1-12H3,(H2,201,247)(H2,202,248)(H2,203,249)(H2,204,250)(H,210,271)(H,211,273)(H,212,282)(H,213,281)(H,214,274)(H,215,275)(H,216,296)(H,217,278)(H,218,283)(H,219,272)(H,220,279)(H,221,280)(H,222,284)(H,223,285)(H,224,290)(H,225,295)(H,226,299)(H,227,300)(H,228,303)(H,229,301)(H,230,302)(H,231,286)(H,232,276)(H,233,287)(H,234,288)(H,235,277)(H,236,294)(H,237,289)(H,238,293)(H,239,291)(H,240,292)(H,241,297)(H,242,298)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,304,305)(H4,205,206,207)/t98-,99-,100-,101+,108-,111-,112-,113-,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-,154-,155-,156-,157-/m0/s1

InChIKey

QRQGSZAUSYEFCY-QIGFUSGDSA-N

Compound name

(4S)-4-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-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]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxohexan-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 16134217