Nh2-tyr-asp-ile-asn-tyr-tyr-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

C₁₉₇H₂₉₁N₄₅O₅₇S

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](CC7=CC=C(C=C7)O)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)N

InChI

InChI=1S/C197H291N45O57S/c1-16-101(9)159(237-178(281)128(40-27-31-82-201)214-168(271)129(41-32-83-209-197(207)208)215-173(276)132(65-73-153(256)257)220-183(286)144(92-112-96-210-122-35-22-20-33-119(112)122)231-176(279)134(67-75-155(260)261)219-177(280)137(78-84-300-15)223-184(287)145(93-113-97-211-123-36-23-21-34-120(113)123)234-196(299)164(106(14)245)242-188(291)143(91-111-50-60-118(250)61-51-111)230-182(285)140(88-108-44-54-115(247)55-45-108)229-185(288)146(94-151(205)253)235-194(297)162(104(12)19-4)240-189(292)147(95-158(266)267)226-166(269)121(202)87-107-42-52-114(246)53-43-107)191(294)225-135(68-76-156(262)263)174(277)218-133(66-74-154(258)259)175(278)228-142(90-110-48-58-117(249)59-49-110)187(290)241-163(105(13)244)195(298)224-127(39-26-30-81-200)169(272)227-139(86-100(7)8)186(289)239-161(103(11)18-3)193(296)233-141(89-109-46-56-116(248)57-47-109)181(284)221-136(69-77-157(264)265)179(282)238-160(102(10)17-2)192(295)232-138(85-99(5)6)180(283)216-125(37-24-28-79-198)167(270)213-126(38-25-29-80-199)170(273)236-148(98-243)190(293)222-130(63-71-150(204)252)172(275)217-131(64-72-152(254)255)171(274)212-124(165(206)268)62-70-149(203)251/h20-23,33-36,42-61,96-97,99-106,121,124-148,159-164,210-211,243-250H,16-19,24-32,37-41,62-95,98,198-202H2,1-15H3,(H2,203,251)(H2,204,252)(H2,205,253)(H2,206,268)(H,212,274)(H,213,270)(H,214,271)(H,215,276)(H,216,283)(H,217,275)(H,218,277)(H,219,280)(H,220,286)(H,221,284)(H,222,293)(H,223,287)(H,224,298)(H,225,294)(H,226,269)(H,227,272)(H,228,278)(H,229,288)(H,230,285)(H,231,279)(H,232,295)(H,233,296)(H,234,299)(H,235,297)(H,236,273)(H,237,281)(H,238,282)(H,239,289)(H,240,292)(H,241,290)(H,242,291)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,207,208,209)/t101-,102-,103-,104-,105+,106+,121-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,159-,160-,161-,162-,163-,164-/m0/s1

InChIKey

OXXNNMKYJPKKDW-BZCQWIKZSA-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)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]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 16186566