Dwlkafydkvaeklkeaf)2p

Structural Information

Molecular Formula

C₂₁₇H₃₁₉N₄₇O₅₆

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)N4CCC[C@H]4C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)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](CC7=CC=CC=C7)C(=O)N[C@@H](CC8=CC=C(C=C8)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](CC9=CC=CC=C9)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C217H319N47O56/c1-116(2)98-155(250-194(296)147(68-39-47-93-222)237-196(298)153(83-87-173(271)272)235-181(283)126(17)233-214(316)179(120(9)10)262-198(300)149(70-41-49-95-224)243-210(312)165(111-176(277)278)257-206(308)161(104-132-73-77-136(265)78-74-132)254-204(306)159(102-128-52-23-19-24-53-128)247-183(285)122(13)229-188(290)143(64-35-43-89-218)239-202(304)157(100-118(5)6)252-208(310)163(249-187(289)140(226)110-175(275)276)108-134-114-227-141-62-33-31-60-138(134)141)200(302)241-145(66-37-45-91-220)192(294)245-151(81-85-171(267)268)190(292)231-124(15)185(287)260-168(106-130-56-27-21-28-57-130)216(318)264-97-51-72-170(264)213(315)259-167(113-178(281)282)212(314)256-164(109-135-115-228-142-63-34-32-61-139(135)142)209(311)253-158(101-119(7)8)203(305)240-144(65-36-44-90-219)189(291)230-123(14)184(286)248-160(103-129-54-25-20-26-55-129)205(307)255-162(105-133-75-79-137(266)80-76-133)207(309)258-166(112-177(279)280)211(313)244-150(71-42-50-96-225)199(301)263-180(121(11)12)215(317)234-127(18)182(284)236-154(84-88-174(273)274)197(299)238-148(69-40-48-94-223)195(297)251-156(99-117(3)4)201(303)242-146(67-38-46-92-221)193(295)246-152(82-86-172(269)270)191(293)232-125(16)186(288)261-169(217(319)320)107-131-58-29-22-30-59-131/h19-34,52-63,73-80,114-127,140,143-170,179-180,227-228,265-266H,35-51,64-72,81-113,218-226H2,1-18H3,(H,229,290)(H,230,291)(H,231,292)(H,232,293)(H,233,316)(H,234,317)(H,235,283)(H,236,284)(H,237,298)(H,238,299)(H,239,304)(H,240,305)(H,241,302)(H,242,303)(H,243,312)(H,244,313)(H,245,294)(H,246,295)(H,247,285)(H,248,286)(H,249,289)(H,250,296)(H,251,297)(H,252,310)(H,253,311)(H,254,306)(H,255,307)(H,256,314)(H,257,308)(H,258,309)(H,259,315)(H,260,287)(H,261,288)(H,262,300)(H,263,301)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,319,320)/t122-,123-,124-,125-,126-,127-,140-,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-,169-,170-,179-,180-/m0/s1

InChIKey

GSGSXWGZHXTXCP-OWVWZVFJSA-N

Compound name

(4S)-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(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]carbamoyl]pyrrolidin-1-yl]-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 16133898