[gpgra]8-spc

Structural Information

Molecular Formula

C₁₈₉H₃₃₁N₇₉O₄₉

SMILES

C[C@@H](C(=O)NCCCC[C@@H](C(=O)NCCCC[C@@H](C(=O)NCCCC[C@@H](C(=O)NCCC(=O)O)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)CN)NC(=O)[C@H](CCCCNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)CN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)CN)NC(=O)[C@H](CCCCNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]5CCCN5C(=O)CN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]6CCCN6C(=O)CN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]7CCCN7C(=O)CN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]8CCCN8C(=O)CN

InChI

InChI=1S/C189H331N79O49/c1-103(238-163(299)115(46-23-70-222-182(198)199)246-134(269)95-230-174(310)126-54-31-79-261(126)142(277)87-190)151(287)214-63-16-9-39-111(254-155(291)107(5)242-167(303)119(50-27-74-226-186(206)207)250-138(273)99-234-178(314)130-58-35-83-265(130)146(281)91-194)159(295)218-67-20-11-41-113(258-171(307)123(256-157(293)109(7)244-169(305)121(52-29-76-228-188(210)211)252-140(275)101-236-180(316)132-60-37-85-267(132)148(283)93-196)43-13-18-65-216-153(289)105(3)240-165(301)117(48-25-72-224-184(202)203)248-136(271)97-232-176(312)128-56-33-81-263(128)144(279)89-192)161(297)220-68-21-12-42-114(162(298)221-78-62-150(285)286)259-173(309)125(260-172(308)124(257-158(294)110(8)245-170(306)122(53-30-77-229-189(212)213)253-141(276)102-237-181(317)133-61-38-86-268(133)149(284)94-197)44-14-19-66-217-154(290)106(4)241-166(302)118(49-26-73-225-185(204)205)249-137(272)98-233-177(313)129-57-34-82-264(129)145(280)90-193)45-15-22-69-219-160(296)112(255-156(292)108(6)243-168(304)120(51-28-75-227-187(208)209)251-139(274)100-235-179(315)131-59-36-84-266(131)147(282)92-195)40-10-17-64-215-152(288)104(2)239-164(300)116(47-24-71-223-183(200)201)247-135(270)96-231-175(311)127-55-32-80-262(127)143(278)88-191/h103-133H,9-102,190-197H2,1-8H3,(H,214,287)(H,215,288)(H,216,289)(H,217,290)(H,218,295)(H,219,296)(H,220,297)(H,221,298)(H,230,310)(H,231,311)(H,232,312)(H,233,313)(H,234,314)(H,235,315)(H,236,316)(H,237,317)(H,238,299)(H,239,300)(H,240,301)(H,241,302)(H,242,303)(H,243,304)(H,244,305)(H,245,306)(H,246,269)(H,247,270)(H,248,271)(H,249,272)(H,250,273)(H,251,274)(H,252,275)(H,253,276)(H,254,291)(H,255,292)(H,256,293)(H,257,294)(H,258,307)(H,259,309)(H,260,308)(H,285,286)(H4,198,199,222)(H4,200,201,223)(H4,202,203,224)(H4,204,205,225)(H4,206,207,226)(H4,208,209,227)(H4,210,211,228)(H4,212,213,229)/t103-,104-,105-,106-,107-,108-,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-/m0/s1

InChIKey

PQHYWFLOKYCCOJ-LFQRCFHASA-N

Compound name

3-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoic acid

Related CIDs

• CID 25091344