Leu-val-gln-pro-arg-gly-pro-arg-ser-gly-pro-gly-pro-trp-gln-gly-gly-arg-arg-lys-phe-arg-arg-gln-arg-pro-arg-leu-ser-his-lys-gly-pro-met-pro-phe

Structural Information

Molecular Formula

C₁₈₅H₂₉₈N₆₈O₄₂S

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N3CCC[C@H]3C(=O)NCC(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC9=CN=CN9)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N

InChI

InChI=1S/C185H298N68O42S/c1-100(2)83-108(188)148(265)246-147(102(5)6)173(290)238-122(60-63-140(191)258)175(292)252-80-33-55-135(252)170(287)233-111(43-20-67-209-178(192)193)150(267)221-94-144(262)248-76-29-52-132(248)167(284)234-118(49-26-73-215-184(204)205)159(276)244-129(97-254)152(269)222-95-143(261)247-75-28-51-131(247)166(283)223-96-146(264)250-78-31-54-134(250)169(286)242-126(87-105-89-217-109-40-15-14-39-107(105)109)163(280)231-119(58-61-138(189)256)151(268)219-91-141(259)218-92-142(260)225-112(44-21-68-210-179(194)195)153(270)228-114(45-22-69-211-180(196)197)154(271)227-113(42-17-19-66-187)157(274)240-125(85-103-35-10-8-11-36-103)162(279)230-116(47-24-71-213-182(200)201)155(272)229-115(46-23-70-212-181(198)199)156(273)232-120(59-62-139(190)257)160(277)236-121(50-27-74-216-185(206)207)174(291)251-79-32-56-136(251)171(288)235-117(48-25-72-214-183(202)203)158(275)239-124(84-101(3)4)161(278)245-130(98-255)165(282)241-127(88-106-90-208-99-224-106)164(281)226-110(41-16-18-65-186)149(266)220-93-145(263)249-77-30-53-133(249)168(285)237-123(64-82-296-7)176(293)253-81-34-57-137(253)172(289)243-128(177(294)295)86-104-37-12-9-13-38-104/h8-15,35-40,89-90,99-102,108,110-137,147,217,254-255H,16-34,41-88,91-98,186-188H2,1-7H3,(H2,189,256)(H2,190,257)(H2,191,258)(H,208,224)(H,218,259)(H,219,268)(H,220,266)(H,221,267)(H,222,269)(H,223,283)(H,225,260)(H,226,281)(H,227,271)(H,228,270)(H,229,272)(H,230,279)(H,231,280)(H,232,273)(H,233,287)(H,234,284)(H,235,288)(H,236,277)(H,237,285)(H,238,290)(H,239,275)(H,240,274)(H,241,282)(H,242,286)(H,243,289)(H,244,276)(H,245,278)(H,246,265)(H,294,295)(H4,192,193,209)(H4,194,195,210)(H4,196,197,211)(H4,198,199,212)(H4,200,201,213)(H4,202,203,214)(H4,204,205,215)(H4,206,207,216)/t108-,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-,136-,137-,147-/m0/s1

InChIKey

BVTLGARMSLXAHI-VDEROMQGSA-N

Compound name

(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 16130451