Ac-qywsqelkns avsllnatai avaegtdrvi evvqgayr-nh2

Structural Information

Molecular Formula

C₁₈₅H₂₉₆N₅₂O₅₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(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)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CCC(=O)N)NC(=O)C

InChI

InChI=1S/C185H296N52O59/c1-30-89(19)144(180(293)206-95(25)152(265)230-139(84(9)10)175(288)205-92(22)150(263)210-111(54-60-135(253)254)156(269)201-77-134(252)229-146(97(27)241)183(296)225-124(74-138(259)260)171(284)212-109(42-37-65-198-185(195)196)161(274)232-143(88(17)18)179(292)236-145(90(20)31-2)181(294)216-115(56-62-137(257)258)162(275)233-142(87(15)16)178(291)234-141(86(13)14)176(289)215-110(51-57-128(187)246)155(268)200-76-133(251)202-91(21)149(262)217-119(69-100-43-47-103(244)48-44-100)167(280)209-107(148(192)261)41-36-64-197-184(193)194)235-153(266)96(26)207-182(295)147(98(28)242)237-154(267)94(24)203-163(276)122(72-131(190)249)224-166(279)117(67-82(5)6)219-165(278)118(68-83(7)8)220-174(287)127(80-240)228-177(290)140(85(11)12)231-151(264)93(23)204-172(285)125(78-238)226-170(283)123(73-132(191)250)223-157(270)108(40-34-35-63-186)211-164(277)116(66-81(3)4)218-160(273)114(55-61-136(255)256)213-159(272)113(53-59-130(189)248)214-173(286)126(79-239)227-169(282)121(71-102-75-199-106-39-33-32-38-105(102)106)222-168(281)120(70-101-45-49-104(245)50-46-101)221-158(271)112(208-99(29)243)52-58-129(188)247/h32-33,38-39,43-50,75,81-98,107-127,139-147,199,238-242,244-245H,30-31,34-37,40-42,51-74,76-80,186H2,1-29H3,(H2,187,246)(H2,188,247)(H2,189,248)(H2,190,249)(H2,191,250)(H2,192,261)(H,200,268)(H,201,269)(H,202,251)(H,203,276)(H,204,285)(H,205,288)(H,206,293)(H,207,295)(H,208,243)(H,209,280)(H,210,263)(H,211,277)(H,212,284)(H,213,272)(H,214,286)(H,215,289)(H,216,294)(H,217,262)(H,218,273)(H,219,278)(H,220,287)(H,221,271)(H,222,281)(H,223,270)(H,224,279)(H,225,296)(H,226,283)(H,227,282)(H,228,290)(H,229,252)(H,230,265)(H,231,264)(H,232,274)(H,233,275)(H,234,291)(H,235,266)(H,236,292)(H,237,267)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,193,194,197)(H4,195,196,198)/t89-,90-,91-,92-,93-,94-,95-,96-,97+,98+,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,139-,140-,141-,142-,143-,144-,145-,146-,147-/m0/s1

InChIKey

TYNOGVNGSDSBJQ-VOQNEOBDSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-amino-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16204881