Dwlkafydkvaeklkeaf)2a

Structural Information

Molecular Formula

C₂₁₅H₃₁₇N₄₇O₅₆

SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC9=CNC1=CC=CC=C19)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C215H317N47O56/c1-114(2)96-154(251-193(295)146(68-40-48-92-220)236-195(297)152(82-86-171(269)270)234-179(281)125(18)232-213(315)177(118(9)10)261-197(299)148(70-42-50-94-222)242-210(312)166(110-175(277)278)258-206(308)161(103-131-72-76-135(263)77-73-131)255-204(306)159(101-128-54-26-21-27-55-128)247-182(284)120(13)227-187(289)142(64-36-44-88-216)238-202(304)156(98-116(5)6)253-208(310)163(250-186(288)139(224)108-173(273)274)106-133-112-225-140-62-34-32-60-137(133)140)200(302)240-144(66-38-46-90-218)191(293)244-150(80-84-169(265)266)189(291)229-122(15)181(283)246-158(100-127-52-24-20-25-53-127)199(301)231-123(16)184(286)249-165(109-174(275)276)212(314)257-164(107-134-113-226-141-63-35-33-61-138(134)141)209(311)254-157(99-117(7)8)203(305)239-143(65-37-45-89-217)188(290)228-121(14)183(285)248-160(102-129-56-28-22-29-57-129)205(307)256-162(104-132-74-78-136(264)79-75-132)207(309)259-167(111-176(279)280)211(313)243-149(71-43-51-95-223)198(300)262-178(119(11)12)214(316)233-126(19)180(282)235-153(83-87-172(271)272)196(298)237-147(69-41-49-93-221)194(296)252-155(97-115(3)4)201(303)241-145(67-39-47-91-219)192(294)245-151(81-85-170(267)268)190(292)230-124(17)185(287)260-168(215(317)318)105-130-58-30-23-31-59-130/h20-35,52-63,72-79,112-126,139,142-168,177-178,225-226,263-264H,36-51,64-71,80-111,216-224H2,1-19H3,(H,227,289)(H,228,290)(H,229,291)(H,230,292)(H,231,301)(H,232,315)(H,233,316)(H,234,281)(H,235,282)(H,236,297)(H,237,298)(H,238,304)(H,239,305)(H,240,302)(H,241,303)(H,242,312)(H,243,313)(H,244,293)(H,245,294)(H,246,283)(H,247,284)(H,248,285)(H,249,286)(H,250,288)(H,251,295)(H,252,296)(H,253,310)(H,254,311)(H,255,306)(H,256,307)(H,257,314)(H,258,308)(H,259,309)(H,260,287)(H,261,299)(H,262,300)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,317,318)/t120-,121-,122-,123-,124-,125-,126-,139-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,177-,178-/m0/s1

InChIKey

VWXWJEQMGZNDPB-OTXFXFKWSA-N

Compound name

(4S)-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133919