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

C₁₈₇H₂₇₈N₄₆O₅₈S₂

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](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/C187H278N46O58S2/c1-17-92(10)150(230-168(273)122(57-67-148(258)259)209-156(261)113(39-30-72-199-187(197)198)204-160(265)116(51-61-142(246)247)211-172(277)129(79-99-85-200-107-34-23-20-31-104(99)107)220-162(267)118(53-63-144(250)251)208-166(271)123(68-73-292-15)213-173(278)131(81-101-87-202-109-36-25-22-33-106(101)109)227-186(291)154(96(14)236)232-169(274)124(69-74-293-16)214-175(280)132(82-138(192)241)224-177(282)134(84-140(194)243)223-174(279)130(80-100-86-201-108-35-24-21-32-105(100)108)221-163(268)120(55-65-146(254)255)215-181(286)149(195)91(8)9)182(287)217-121(56-66-147(256)257)164(269)222-133(83-139(193)242)176(281)219-128(78-98-42-46-103(238)47-43-98)179(284)233-153(95(13)235)185(290)216-111(37-26-28-70-188)157(262)218-126(76-90(6)7)178(283)231-152(94(12)19-3)184(289)226-127(77-97-40-44-102(237)45-41-97)171(276)205-112(38-27-29-71-189)167(272)229-151(93(11)18-2)183(288)225-125(75-89(4)5)170(275)210-117(52-62-143(248)249)161(266)207-119(54-64-145(252)253)165(270)228-135(88-234)180(285)212-114(49-59-137(191)240)159(264)206-115(50-60-141(244)245)158(263)203-110(155(196)260)48-58-136(190)239/h20-25,31-36,40-47,85-87,89-96,110-135,149-154,200-202,234-238H,17-19,26-30,37-39,48-84,88,188-189,195H2,1-16H3,(H2,190,239)(H2,191,240)(H2,192,241)(H2,193,242)(H2,194,243)(H2,196,260)(H,203,263)(H,204,265)(H,205,276)(H,206,264)(H,207,266)(H,208,271)(H,209,261)(H,210,275)(H,211,277)(H,212,285)(H,213,278)(H,214,280)(H,215,286)(H,216,290)(H,217,287)(H,218,262)(H,219,281)(H,220,267)(H,221,268)(H,222,269)(H,223,279)(H,224,282)(H,225,288)(H,226,289)(H,227,291)(H,228,270)(H,229,272)(H,230,273)(H,231,283)(H,232,274)(H,233,284)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H4,197,198,199)/t92-,93-,94-,95+,96+,110-,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-,149-,150-,151-,152-,153-,154-/m0/s1

InChIKey

GQUNBZVLWWPAQW-HGDXIWHZSA-N

Compound name

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

Related CIDs

• CID 16186561