acetic acid;(4S)-7-[2-[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S,4S,5S)-4-[2-[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-3-amino-1-[[2-[[2-[(2S)-2-[[(1S)-2-[[(1S)-2-[[2-[[2-[(2S)-2-[(2S)-2-[2-[(2S)-1-[[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]amino]pyrrolidin-2-yl]-2-oxo-acetyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]pentyl]carbamoyl]-3-methyl-butyl]amino]-1-(6H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-carboxy-propyl]hydrazino]-1-benzyl-5-methyl-2,3-dioxo-heptyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-2-methyl-propyl]hydrazino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[2-[(1S)-1-[[(4S)-4-amino-5-(2H-imidazol-4-yl)-2,3-dioxo-pentyl]carbamoyl]-3-carboxy-propyl]hydrazino]acetyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-carboxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-5,6-dioxo-octanoic acid

More details:

• Systematic name

  acetic acid;(4S)-7-[2-[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S,4S,5S)-4-[2-[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-3-amino-1-[[2-[[2-[(2S)-2-[[(1S)-2-[[(1S)-2-[[2-[[2-[(2S)-2-[(2S)-2-[2-[(2S)-1-[[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]amino]pyrrolidin-2-yl]-2-oxo-acetyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]pentyl]carbamoyl]-3-methyl-butyl]amino]-1-(6H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-carboxy-propyl]hydrazino]-1-benzyl-5-methyl-2,3-dioxo-heptyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-2-methyl-propyl]hydrazino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[2-[(1S)-1-[[(4S)-4-amino-5-(2H-imidazol-4-yl)-2,3-dioxo-pentyl]carbamoyl]-3-carboxy-propyl]hydrazino]acetyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-carboxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-5,6-dioxo-octanoic acid

• SMILES

  CC(O)=O.CC[C@H](C)[C@H](NN[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1C=NC2=CCC=CC=12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)C(=O)[C@@H]1CCCN1N[C@@H](CO)C(N)=O)C(=O)C(=O)[C@H](CC1C=CC=CC=1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NNC(C)C(=O)C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1C=CC=CC=1)NC(=O)[C@@H](NC(=O)CNN[C@@H](CCC(O)=O)C(=O)NCC(=O)C(=O)[C@@H](N)CC1C=NCN=1)[C@@H](C)O)[C@@H](C)O)C(C)C

• Std. InChi

  InChI=1S/C184H282N50O60S.C2H4O2/c1-16-94(10)147(229-227-115(52-58-144(257)258)168(279)215-121(73-101-77-195-105-39-24-23-38-103(101)105)172(283)213-117(68-90(2)3)169(280)204-108(41-26-28-61-186)162(273)216-122(75-135(189)244)159(270)198-80-136(245)196-83-139(248)231-63-31-45-131(231)178(289)221-127(87-238)177(288)219-125(85-236)160(271)199-81-137(246)202-96(12)182(293)233-65-32-46-132(233)183(294)232-64-30-43-129(232)154(265)155(266)130-44-33-66-234(130)230-124(84-235)157(190)268)156(267)153(264)116(71-99-34-19-17-20-35-99)211-170(281)118(69-91(4)5)212-163(274)109(42-29-62-194-184(191)192)210-179(290)146(93(8)9)228-225-95(11)150(261)152(263)106(48-54-140(249)250)203-164(275)111(49-55-141(251)252)207-166(277)112(50-56-142(253)254)208-167(278)113(59-67-295-15)209-165(276)110(47-53-134(188)243)206-161(272)107(40-25-27-60-185)205-175(286)126(86-237)220-171(282)119(70-92(6)7)214-173(284)123(76-145(259)260)217-176(287)128(88-239)222-181(292)149(98(14)241)224-174(285)120(72-100-36-21-18-22-37-100)218-180(291)148(97(13)240)223-138(247)82-201-226-114(51-57-143(255)256)158(269)197-79-133(242)151(262)104(187)74-102-78-193-89-200-102;1-2(3)4/h17-23,34-39,77-78,90-98,104,106-132,146-149,201,225-230,235-241H,16,24-33,40-76,79-89,185-187H2,1-15H3,(H2,188,243)(H2,189,244)(H2,190,268)(H,196,245)(H,197,269)(H,198,270)(H,199,271)(H,202,246)(H,203,275)(H,204,280)(H,205,286)(H,206,272)(H,207,277)(H,208,278)(H,209,276)(H,210,290)(H,211,281)(H,212,274)(H,213,283)(H,214,284)(H,215,279)(H,216,273)(H,217,287)(H,218,291)(H,219,288)(H,220,282)(H,221,289)(H,222,292)(H,223,247)(H,224,285)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194);1H3,(H,3,4)/t94-,95?,96?,97+,98+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,146-,147-,148-,149-;/m0./s1

• Std. InChIKey

  TVHFVFBGWAZATB-OEZXQULWSA-N

• Cite this record

  CSID:114724447, http://www.chemspider.com/Chemical-Structure.114724447.html (accessed 15:14, Apr 18, 2024)