Nh2-val-glu-trp-asn-asn-lys-thr-trp-met-glu-trp-glu-arg-lys-ile-glu-glu-tyr-thr-lys-leu-ile-tyr-glu-ile-leu-lys-lys-ser-gln-glu-gln-nh2

Structural Information

Molecular Formula

C₁₉₁H₂₉₂N₄₈O₅₅S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)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](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)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)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=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](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C191H292N48O55S/c1-16-98(10)154(235-172(276)120(45-28-33-78-195)211-161(265)122(47-35-80-205-191(203)204)212-166(270)125(59-68-147(251)252)218-177(281)136(86-105-91-206-113-39-22-19-36-110(105)113)227-169(273)127(61-70-149(255)256)217-171(275)131(74-81-295-15)221-178(282)138(88-107-93-208-115-41-24-21-38-112(107)115)233-190(294)158(102(14)242)238-173(277)121(46-29-34-79-196)214-180(284)139(89-144(199)247)230-181(285)140(90-145(200)248)229-179(283)137(87-106-92-207-114-40-23-20-37-111(106)114)228-170(274)128(62-71-150(257)258)222-185(289)153(201)97(8)9)186(290)224-129(63-72-151(259)260)167(271)216-126(60-69-148(253)254)168(272)226-135(85-104-50-54-109(244)55-51-104)183(287)239-157(101(13)241)189(293)223-119(44-27-32-77-194)162(266)225-133(83-96(6)7)182(286)237-156(100(12)18-3)188(292)232-134(84-103-48-52-108(243)53-49-103)176(280)219-130(64-73-152(261)262)174(278)236-155(99(11)17-2)187(291)231-132(82-95(4)5)175(279)213-117(42-25-30-75-192)160(264)210-118(43-26-31-76-193)163(267)234-141(94-240)184(288)220-123(57-66-143(198)246)165(269)215-124(58-67-146(249)250)164(268)209-116(159(202)263)56-65-142(197)245/h19-24,36-41,48-55,91-93,95-102,116-141,153-158,206-208,240-244H,16-18,25-35,42-47,56-90,94,192-196,201H2,1-15H3,(H2,197,245)(H2,198,246)(H2,199,247)(H2,200,248)(H2,202,263)(H,209,268)(H,210,264)(H,211,265)(H,212,270)(H,213,279)(H,214,284)(H,215,269)(H,216,271)(H,217,275)(H,218,281)(H,219,280)(H,220,288)(H,221,282)(H,222,289)(H,223,293)(H,224,290)(H,225,266)(H,226,272)(H,227,273)(H,228,274)(H,229,283)(H,230,285)(H,231,291)(H,232,292)(H,233,294)(H,234,267)(H,235,276)(H,236,278)(H,237,286)(H,238,277)(H,239,287)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H4,203,204,205)/t98-,99-,100-,101+,102+,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-,153-,154-,155-,156-,157-,158-/m0/s1

InChIKey

JIMJKAFAILZOPN-KJQUESLESA-N

Compound name

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

Related CIDs

• CID 16186559