Bac7 (1-35)

Structural Information

Molecular Formula

C₁₉₆H₃₂₂N₆₈O₃₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCNC(=N)N)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CCCNC(=N)N)C(=O)N7CCC[C@H]7C(=O)N[C@@H](CC(C)C)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CC9=CC=CC=C9)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C196H322N68O36/c1-11-113(9)150(247-154(268)119(52-21-79-222-188(202)203)232-152(266)117(197)50-19-77-220-186(198)199)169(283)241-127(60-29-87-230-196(218)219)176(290)253-92-34-65-137(253)160(274)240-126(59-28-86-229-195(216)217)177(291)263-102-44-75-147(263)183(297)261-100-42-72-144(261)157(271)233-118(51-20-78-221-187(200)201)153(267)242-128(104-110(3)4)178(292)257-96-37-66-138(257)161(275)238-123(56-25-83-226-192(210)211)172(286)252-91-33-63-135(252)158(272)236-122(55-24-82-225-191(208)209)171(285)251-90-32-64-136(251)159(273)237-124(57-26-84-227-193(212)213)173(287)254-93-35-68-140(254)164(278)243-129(105-111(5)6)179(293)258-97-39-70-142(258)166(280)245-131(107-115-46-15-13-16-47-115)181(295)260-99-38-67-139(260)162(276)235-120(53-22-80-223-189(204)205)170(284)250-89-31-61-133(250)155(269)231-109-149(265)249-88-30-62-134(249)156(270)234-121(54-23-81-224-190(206)207)175(289)256-95-41-74-146(256)168(282)248-151(114(10)12-2)184(298)262-101-43-73-145(262)163(277)239-125(58-27-85-228-194(214)215)174(288)255-94-36-69-141(255)165(279)244-130(106-112(7)8)180(294)259-98-40-71-143(259)167(281)246-132(108-116-48-17-14-18-49-116)182(296)264-103-45-76-148(264)185(299)300/h13-18,46-49,110-114,117-148,150-151H,11-12,19-45,50-109,197H2,1-10H3,(H,231,269)(H,232,266)(H,233,271)(H,234,270)(H,235,276)(H,236,272)(H,237,273)(H,238,275)(H,239,277)(H,240,274)(H,241,283)(H,242,267)(H,243,278)(H,244,279)(H,245,280)(H,246,281)(H,247,268)(H,248,282)(H,299,300)(H4,198,199,220)(H4,200,201,221)(H4,202,203,222)(H4,204,205,223)(H4,206,207,224)(H4,208,209,225)(H4,210,211,226)(H4,212,213,227)(H4,214,215,228)(H4,216,217,229)(H4,218,219,230)/t113-,114-,117-,118-,119-,120-,121-,122-,123-,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-,150-,151-/m0/s1

InChIKey

PQKNVFCACHERSR-YHOXMIFBSA-N

Compound name

(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid

Related CIDs

• CID 16130514