Nh2-val-glu-trp-asn-asn-met-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

C₁₉₀H₂₈₉N₄₇O₅₅S₂

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](CCSC)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/C190H289N47O55S2/c1-17-97(10)153(233-171(274)119(44-29-33-77-194)209-160(263)120(45-34-78-203-190(201)202)210-165(268)123(57-66-146(249)250)215-176(279)135(85-104-90-204-112-38-23-20-35-109(104)112)225-168(271)125(59-68-148(253)254)214-170(273)129(72-79-293-15)218-177(280)137(87-106-92-206-114-40-25-22-37-111(106)114)231-189(292)157(101(14)240)236-173(276)130(73-80-294-16)219-179(282)138(88-143(197)245)228-180(283)139(89-144(198)246)227-178(281)136(86-105-91-205-113-39-24-21-36-110(105)113)226-169(272)126(60-69-149(255)256)220-184(287)152(199)96(8)9)185(288)222-127(61-70-150(257)258)166(269)213-124(58-67-147(251)252)167(270)224-134(84-103-48-52-108(242)53-49-103)182(285)237-156(100(13)239)188(291)221-118(43-28-32-76-193)161(264)223-132(82-95(6)7)181(284)235-155(99(12)19-3)187(290)230-133(83-102-46-50-107(241)51-47-102)175(278)216-128(62-71-151(259)260)172(275)234-154(98(11)18-2)186(289)229-131(81-94(4)5)174(277)211-116(41-26-30-74-191)159(262)208-117(42-27-31-75-192)162(265)232-140(93-238)183(286)217-121(55-64-142(196)244)164(267)212-122(56-65-145(247)248)163(266)207-115(158(200)261)54-63-141(195)243/h20-25,35-40,46-53,90-92,94-101,115-140,152-157,204-206,238-242H,17-19,26-34,41-45,54-89,93,191-194,199H2,1-16H3,(H2,195,243)(H2,196,244)(H2,197,245)(H2,198,246)(H2,200,261)(H,207,266)(H,208,262)(H,209,263)(H,210,268)(H,211,277)(H,212,267)(H,213,269)(H,214,273)(H,215,279)(H,216,278)(H,217,286)(H,218,280)(H,219,282)(H,220,287)(H,221,291)(H,222,288)(H,223,264)(H,224,270)(H,225,271)(H,226,272)(H,227,281)(H,228,283)(H,229,289)(H,230,290)(H,231,292)(H,232,265)(H,233,274)(H,234,275)(H,235,284)(H,236,276)(H,237,285)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,201,202,203)/t97-,98-,99-,100+,101+,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-,152-,153-,154-,155-,156-,157-/m0/s1

InChIKey

QMEJBNCXJSPSFU-GMQSNBROSA-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)-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]-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]-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 16186560