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

Structural Information

Molecular Formula

C₁₉₀H₂₈₃N₄₇O₅₉S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)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](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)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)NC(=O)[C@H](CCC(=O)O)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)NC(=O)C

InChI

InChI=1S/C190H283N47O59S/c1-17-94(10)153(234-172(279)126(60-70-151(263)264)214-159(266)117(42-32-75-202-190(200)201)208-163(270)120(54-64-145(251)252)216-175(282)132(81-102-87-203-110-36-23-20-33-107(102)110)224-165(272)122(56-66-147(255)256)213-169(276)127(71-76-297-16)218-176(283)134(83-104-89-205-112-38-25-22-35-109(104)112)231-189(296)157(98(14)240)236-171(278)116(41-28-31-74-193)210-178(285)135(84-141(196)246)228-180(287)137(86-143(198)248)227-177(284)133(82-103-88-204-111-37-24-21-34-108(103)111)225-166(273)124(58-68-149(259)260)220-184(291)152(93(8)9)206-99(15)241)185(292)221-125(59-69-150(261)262)167(274)226-136(85-142(197)247)179(286)223-131(80-101-45-49-106(243)50-46-101)182(289)237-156(97(13)239)188(295)219-114(39-26-29-72-191)160(267)222-129(78-92(6)7)181(288)235-155(96(12)19-3)187(294)230-130(79-100-43-47-105(242)48-44-100)174(281)209-115(40-27-30-73-192)170(277)233-154(95(11)18-2)186(293)229-128(77-91(4)5)173(280)215-121(55-65-146(253)254)164(271)212-123(57-67-148(257)258)168(275)232-138(90-238)183(290)217-118(52-62-140(195)245)162(269)211-119(53-63-144(249)250)161(268)207-113(158(199)265)51-61-139(194)244/h20-25,33-38,43-50,87-89,91-98,113-138,152-157,203-205,238-240,242-243H,17-19,26-32,39-42,51-86,90,191-193H2,1-16H3,(H2,194,244)(H2,195,245)(H2,196,246)(H2,197,247)(H2,198,248)(H2,199,265)(H,206,241)(H,207,268)(H,208,270)(H,209,281)(H,210,285)(H,211,269)(H,212,271)(H,213,276)(H,214,266)(H,215,280)(H,216,282)(H,217,290)(H,218,283)(H,219,295)(H,220,291)(H,221,292)(H,222,267)(H,223,286)(H,224,272)(H,225,273)(H,226,274)(H,227,284)(H,228,287)(H,229,293)(H,230,294)(H,231,296)(H,232,275)(H,233,277)(H,234,279)(H,235,288)(H,236,278)(H,237,289)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H4,200,201,202)/t94-,95-,96-,97+,98+,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-,152-,153-,154-,155-,156-,157-/m0/s1

InChIKey

IOWZKFMYVINOJO-QLRDXQLDSA-N

Compound name

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

Related CIDs

• CID 16186563