(4S)-4-[[2-[[2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-1-(2-acetamido-2-methyl-propanoyl)pyrrolidine-2-carbonyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-5-amino-5-oxo-pentanoyl]amino]-2-methyl-propanoyl]amino]-3-methyl-butanoyl]amino]-2-methyl-propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-5-[[(1S)-4-amino-1-[(1-benzyl-2-hydroxy-ethyl)carbamoyl]-4-oxo-butyl]amino]-5-oxo-pentanoic acid

More details:

• Systematic name

  (4S)-4-[[2-[[2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-1-(2-acetamido-2-methyl-propanoyl)pyrrolidine-2-carbonyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-5-amino-5-oxo-pentanoyl]amino]-2-methyl-propanoyl]amino]-3-methyl-butanoyl]amino]-2-methyl-propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]-5-[[(1S)-4-amino-1-[(1-benzyl-2-hydroxy-ethyl)carbamoyl]-4-oxo-butyl]amino]-5-oxo-pentanoic acid

• SMILES

  C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(Cc2ccccc2)CO)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@@H]3CCCN3C(=O)C(C)(C)NC(=O)C

• Std. InChi

  InChI=1S/C92H150N22O25/c1-47(2)43-58(72(127)108-92(24,25)84(139)113-41-29-33-59(113)73(128)103-65(48(3)4)75(130)111-90(20,21)82(137)112-89(18,19)80(135)102-56(37-40-64(120)121)70(125)101-55(35-38-61(93)117)69(124)98-54(46-115)44-53-31-27-26-28-32-53)99-63(119)45-95-77(132)85(10,11)110-76(131)66(49(5)6)104-81(136)88(16,17)107-71(126)57(36-39-62(94)118)100-67(122)50(7)96-78(133)86(12,13)106-68(123)51(8)97-79(134)87(14,15)109-74(129)60-34-30-42-114(60)83(138)91(22,23)105-52(9)116/h26-28,31-32,47-51,54-60,65-66,115H,29-30,33-46H2,1-25H3,(H2,93,117)(H2,94,118)(H,95,132)(H,96,133)(H,97,134)(H,98,124)(H,99,119)(H,100,122)(H,101,125)(H,102,135)(H,103,128)(H,104,136)(H,105,116)(H,106,123)(H,107,126)(H,108,127)(H,109,129)(H,110,131)(H,111,130)(H,112,137)(H,120,121)/t50-,51-,54?,55-,56-,57-,58-,59-,60-,65-,66-/m0/s1

• Std. InChIKey

  LGHSQOCGTJHDIL-KTGVELDTSA-N

• Cite this record

  CSID:17295451, http://www.chemspider.com/Chemical-Structure.17295451.html (accessed 10:34, Apr 26, 2024)