Wmewdreieelakkseelakkieeqakkqeesakk

Structural Information

Molecular Formula

C₁₈₇H₃₀₄N₅₀O₆₂S

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](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)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](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)N

InChI

InChI=1S/C187H304N50O62S/c1-14-96(7)150(184(296)227-126(59-71-146(256)257)169(281)220-119(52-64-139(242)243)166(278)217-117(50-62-137(197)240)157(269)204-98(9)152(264)208-109(41-20-28-75-188)158(270)213-113(45-24-32-79-192)161(273)218-118(51-63-138(198)241)165(277)219-120(53-65-140(244)245)167(279)223-125(58-70-145(254)255)174(286)234-135(92-238)182(294)207-101(12)155(267)211-112(44-23-31-78-191)163(275)229-130(186(298)299)48-27-35-82-195)236-176(288)115(47-26-34-81-194)215-160(272)111(43-22-30-77-190)210-154(266)100(11)206-178(290)131(85-94(3)4)230-171(283)122(55-67-142(248)249)221-168(280)121(54-66-141(246)247)226-183(295)136(93-239)235-164(276)114(46-25-33-80-193)214-159(271)110(42-21-29-76-189)209-153(265)99(10)205-179(291)132(86-95(5)6)231-172(284)123(56-68-143(250)251)222-170(282)127(60-72-147(258)259)228-185(297)151(97(8)15-2)237-177(289)128(61-73-148(260)261)225-162(274)116(49-36-83-201-187(199)200)216-181(293)134(89-149(262)263)233-180(292)133(88-103-91-203-108-40-19-17-38-105(103)108)232-173(285)124(57-69-144(252)253)224-175(287)129(74-84-300-13)212-156(268)106(196)87-102-90-202-107-39-18-16-37-104(102)107/h16-19,37-40,90-91,94-101,106,109-136,150-151,202-203,238-239H,14-15,20-36,41-89,92-93,188-196H2,1-13H3,(H2,197,240)(H2,198,241)(H,204,269)(H,205,291)(H,206,290)(H,207,294)(H,208,264)(H,209,265)(H,210,266)(H,211,267)(H,212,268)(H,213,270)(H,214,271)(H,215,272)(H,216,293)(H,217,278)(H,218,273)(H,219,277)(H,220,281)(H,221,280)(H,222,282)(H,223,279)(H,224,287)(H,225,274)(H,226,295)(H,227,296)(H,228,297)(H,229,275)(H,230,283)(H,231,284)(H,232,285)(H,233,292)(H,234,286)(H,235,276)(H,236,288)(H,237,289)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,298,299)(H4,199,200,201)/t96-,97-,98-,99-,100-,101-,106-,109-,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-,150-,151-/m0/s1

InChIKey

FEXJYOKLIJRUEL-YFIRFXICSA-N

Compound name

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoic acid

Related CIDs

• CID 86574958