Palustrin-3ar

Structural Information

Molecular Formula

C₂₀₃H₃₄₂N₆₀O₅₈S₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)O)NC(=O)CN

InChI

InChI=1S/C203H342N60O58S3/c1-27-105(17)160(192(310)226-92-150(276)233-129(82-141(212)267)186(304)262-166(113(25)265)194(312)227-93-151(277)234-137(98-322)189(307)246-132(85-144(215)270)184(302)244-130(83-142(213)268)182(300)238-122(63-51-74-219-203(217)218)173(291)247-134(87-156(283)284)185(303)239-123(65-66-155(281)282)175(293)252-138(99-323)202(320)321)259-187(305)133(86-145(216)271)245-183(301)131(84-143(214)269)243-180(298)125(77-100(7)8)232-149(275)89-220-167(285)111(23)228-172(290)118(59-41-47-70-206)237-181(299)127(79-114-53-35-33-36-54-114)248-195(313)158(103(13)14)257-177(295)120(61-43-49-72-208)236-176(294)124(67-76-324-26)231-148(274)90-224-191(309)157(102(11)12)254-152(278)94-222-170(288)117(58-40-46-69-205)235-168(286)112(24)229-179(297)126(78-101(9)10)242-188(306)136(97-264)251-174(292)119(60-42-48-71-207)241-197(315)163(108(20)30-4)255-154(280)96-223-171(289)128(81-140(211)266)249-196(314)159(104(15)16)258-199(317)164(109(21)31-5)256-153(279)95-221-169(287)116(57-39-45-68-204)230-147(273)91-225-193(311)161(106(18)28-2)261-200(318)165(110(22)32-6)260-178(296)121(62-44-50-73-209)240-190(308)139-64-52-75-263(139)201(319)135(80-115-55-37-34-38-56-115)250-198(316)162(107(19)29-3)253-146(272)88-210/h33-38,53-56,100-113,116-139,157-166,264-265,322-323H,27-32,39-52,57-99,204-210H2,1-26H3,(H2,211,266)(H2,212,267)(H2,213,268)(H2,214,269)(H2,215,270)(H2,216,271)(H,220,285)(H,221,287)(H,222,288)(H,223,289)(H,224,309)(H,225,311)(H,226,310)(H,227,312)(H,228,290)(H,229,297)(H,230,273)(H,231,274)(H,232,275)(H,233,276)(H,234,277)(H,235,286)(H,236,294)(H,237,299)(H,238,300)(H,239,303)(H,240,308)(H,241,315)(H,242,306)(H,243,298)(H,244,302)(H,245,301)(H,246,307)(H,247,291)(H,248,313)(H,249,314)(H,250,316)(H,251,292)(H,252,293)(H,253,272)(H,254,278)(H,255,280)(H,256,279)(H,257,295)(H,258,317)(H,259,305)(H,260,296)(H,261,318)(H,262,304)(H,281,282)(H,283,284)(H,320,321)(H4,217,218,219)/t105-,106-,107-,108-,109-,110-,111-,112-,113+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-/m0/s1

InChIKey

VYKFINXXWFOBTC-CGCJTBAASA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2R)-2-[[2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-6-amino-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16134113