Chembl436869

Structural Information

Molecular Formula

C₁₉₂H₃₀₀N₅₂O₅₇S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)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)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](C)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)N

InChI

InChI=1S/C192H300N52O57S2/c1-30-92(14)150(241-163(272)104(26)214-165(274)117(45-39-67-204-192(201)202)220-184(293)137(82-149(261)262)237-180(289)131(76-107-83-205-114-42-35-33-40-111(107)114)231-161(270)101(23)213-168(277)125(65-69-303-29)226-179(288)132(77-108-84-206-115-43-36-34-41-112(108)115)238-190(299)153(105(27)245)244-164(273)113(194)64-68-302-28)187(296)217-103(25)162(271)232-134(79-142(198)250)183(292)234-130(75-106-46-48-110(246)49-47-106)175(284)215-97(19)156(265)210-100(22)159(268)229-128(72-89(8)9)186(295)243-152(94(16)32-3)189(298)239-133(78-109-85-203-86-207-109)176(285)216-102(24)160(269)230-129(73-90(10)11)185(294)242-151(93(15)31-2)188(297)227-122(54-61-146(255)256)167(276)212-96(18)154(263)208-98(20)157(266)218-118(50-57-139(195)247)173(282)236-136(81-144(200)252)181(290)223-120(52-59-141(197)249)171(280)221-119(51-58-140(196)248)170(279)222-123(55-62-147(257)258)172(281)219-116(44-37-38-66-193)169(278)235-135(80-143(199)251)182(291)224-121(53-60-145(253)254)166(275)211-95(17)155(264)209-99(21)158(267)228-126(70-87(4)5)178(287)233-127(71-88(6)7)177(286)225-124(56-63-148(259)260)174(283)240-138(191(300)301)74-91(12)13/h33-36,40-43,46-49,83-105,113,116-138,150-153,205-206,245-246H,30-32,37-39,44-45,50-82,193-194H2,1-29H3,(H2,195,247)(H2,196,248)(H2,197,249)(H2,198,250)(H2,199,251)(H2,200,252)(H,203,207)(H,208,263)(H,209,264)(H,210,265)(H,211,275)(H,212,276)(H,213,277)(H,214,274)(H,215,284)(H,216,285)(H,217,296)(H,218,266)(H,219,281)(H,220,293)(H,221,280)(H,222,279)(H,223,290)(H,224,291)(H,225,286)(H,226,288)(H,227,297)(H,228,267)(H,229,268)(H,230,269)(H,231,270)(H,232,271)(H,233,287)(H,234,292)(H,235,278)(H,236,282)(H,237,289)(H,238,299)(H,239,298)(H,240,283)(H,241,272)(H,242,294)(H,243,295)(H,244,273)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,300,301)(H4,201,202,204)/t92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105+,113-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,150-,151-,152-,153-/m0/s1

InChIKey

GTWRYZJVHJAXDR-FKSOURRCSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-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-amino-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134134