Chembl437636

Structural Information

Molecular Formula

C₁₉₉H₃₁₇N₅₇O₆₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)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](CCCNC(=N)N)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](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)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@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)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](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C199H317N57O62/c1-27-94(13)153(252-164(286)104(23)224-166(288)117(46-37-75-214-196(206)207)231-187(309)138(87-151(278)279)248-185(307)135(84-109-88-218-114-43-33-31-41-112(109)114)245-163(285)102(21)222-168(290)124(57-67-144(264)265)239-184(306)136(85-110-89-219-115-44-34-32-42-113(110)115)250-194(316)157(107(26)258)256-189(311)152(205)106(25)257)190(312)227-103(22)160(282)229-127(60-70-147(270)271)178(300)246-134(83-108-50-52-111(259)53-51-108)181(303)226-98(17)158(280)220-99(18)159(281)228-120(49-40-78-217-199(212)213)180(302)254-155(96(15)29-3)192(314)242-126(59-69-146(268)269)170(292)223-101(20)162(284)244-133(81-92(9)10)188(310)255-156(97(16)30-4)191(313)241-118(47-38-76-215-197(208)209)167(289)221-100(19)161(283)243-131(79-90(5)6)182(304)238-123(56-66-142(203)262)175(297)237-129(62-72-149(274)275)177(299)234-121(54-64-140(201)260)173(295)233-122(55-65-141(202)261)174(296)236-128(61-71-148(272)273)176(298)230-116(45-35-36-74-200)172(294)247-137(86-143(204)263)186(308)240-125(58-68-145(266)267)169(291)225-105(24)165(287)253-154(95(14)28-2)193(315)249-132(80-91(7)8)183(305)232-119(48-39-77-216-198(210)211)171(293)235-130(63-73-150(276)277)179(301)251-139(195(317)318)82-93(11)12/h31-34,41-44,50-53,88-107,116-139,152-157,218-219,257-259H,27-30,35-40,45-49,54-87,200,205H2,1-26H3,(H2,201,260)(H2,202,261)(H2,203,262)(H2,204,263)(H,220,280)(H,221,289)(H,222,290)(H,223,292)(H,224,288)(H,225,291)(H,226,303)(H,227,312)(H,228,281)(H,229,282)(H,230,298)(H,231,309)(H,232,305)(H,233,295)(H,234,299)(H,235,293)(H,236,296)(H,237,297)(H,238,304)(H,239,306)(H,240,308)(H,241,313)(H,242,314)(H,243,283)(H,244,284)(H,245,285)(H,246,300)(H,247,294)(H,248,307)(H,249,315)(H,250,316)(H,251,301)(H,252,286)(H,253,287)(H,254,302)(H,255,310)(H,256,311)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,317,318)(H4,206,207,214)(H4,208,209,215)(H4,210,211,216)(H4,212,213,217)/t94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106+,107+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,152-,153-,154-,155-,156-,157-/m0/s1

InChIKey

SVTGJXJAYTXTAL-LTWLDCTISA-N

Compound name

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

Related CIDs

• CID 16134181