(4S)-5-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S,2S)-1-[[(1S)-3-amino-1-[[(1S)-1-[[(1S,2S)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-1-[[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-4-oxo-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-methyl-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-3-carboxy-propyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]amino]-4-[[2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxy-propanoyl]amino]-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxo-pentanoic acid

More details:

• Systematic name

  (4S)-5-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S,2S)-1-[[(1S)-3-amino-1-[[(1S)-1-[[(1S,2S)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-1-[[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-4-oxo-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-methyl-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-3-carboxy-propyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]amino]-4-[[2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxy-propanoyl]amino]-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxo-pentanoic acid

• SMILES

  [H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN/C(=N/[H])/N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](Cc4ccc(cc4)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN/C(=N/[H])/N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN/C(=N/[H])/N)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]7CCCN7C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]9CCCN9C(=O)[C@H](Cc1ccc(cc1)O)N

• Std. InChi

  InChI=1S/C190H287N55O57/c1-16-94(9)149(180(296)235-129(81-141(194)255)169(285)227-124(74-93(7)8)172(288)240-150(95(10)17-2)181(297)241-151(100(15)248)182(298)222-116(32-23-67-209-190(203)204)156(272)221-118(57-60-140(193)254)161(277)219-114(30-21-65-207-188(199)200)157(273)224-121(152(196)268)76-102-39-49-108(250)50-40-102)239-173(289)127(79-105-45-55-111(253)56-46-105)230-168(284)128(80-106-86-205-90-211-106)231-159(275)115(31-22-66-208-189(201)202)220-165(281)123(73-92(5)6)225-155(271)97(12)213-174(290)134(88-246)237-167(283)126(78-104-43-53-110(252)54-44-104)229-166(282)125(77-103-41-51-109(251)52-42-103)228-158(274)113(29-20-64-206-187(197)198)217-153(269)96(11)212-163(279)122(72-91(3)4)226-170(286)131(84-147(264)265)233-162(278)119(59-62-145(260)261)218-154(270)98(13)214-177(293)137-34-25-68-242(137)183(299)99(14)215-164(280)130(83-146(262)263)232-160(276)117(58-61-144(258)259)216-143(257)87-210-176(292)136-33-24-70-244(136)186(302)133(82-142(195)256)236-171(287)132(85-148(266)267)234-178(294)139-36-27-71-245(139)185(301)120(28-18-19-63-191)223-175(291)135(89-247)238-179(295)138-35-26-69-243(138)184(300)112(192)75-101-37-47-107(249)48-38-101/h37-56,86,90-100,112-139,149-151,246-253H,16-36,57-85,87-89,191-192H2,1-15H3,(H2,193,254)(H2,194,255)(H2,195,256)(H2,196,268)(H,205,211)(H,210,292)(H,212,279)(H,213,290)(H,214,293)(H,215,280)(H,216,257)(H,217,269)(H,218,270)(H,219,277)(H,220,281)(H,221,272)(H,222,298)(H,223,291)(H,224,273)(H,225,271)(H,226,286)(H,227,285)(H,228,274)(H,229,282)(H,230,284)(H,231,275)(H,232,276)(H,233,278)(H,234,294)(H,235,296)(H,236,287)(H,237,283)(H,238,295)(H,239,289)(H,240,288)(H,241,297)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)/t94-,95-,96-,97-,98-,99-,100+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,149-,150-,151-/m0/s1

• Std. InChIKey

  URPYMXQQVHTUDU-OFGSCBOVSA-N

• Cite this record

  CSID:17289009, http://www.chemspider.com/Chemical-Structure.17289009.html (accessed 13:48, Apr 24, 2024)