(2S,5R,11R,14S,17R)-2-Benzyl-11-[(1S)-1-hydroxy-2-methylpropyl]-5,14-dimethyl-17-({(2S)-3-methyl-2-[(phenylacetyl)amino]butanoyl}amino)-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazanonadecane-1,19-dioic acid

More details:

• Systematic name

  (2S,5R,11R,14S,17R)-2-Benzyl-11-[(1S)-1-hydroxy-2-methylpropyl]-5,14-dimethyl-17-({(2S)-3-methyl-2-[(phenylacetyl)amino]butanoyl}amino)-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazanonadecane-1,19-dioic acid

• SMILES

  C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NC(=O)CNC(=O)[C@@H]([C@H](C(C)C)O)NC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)Cc2ccccc2

• Std. InChi

  InChI=1S/C40H55N7O12/c1-21(2)32(46-29(48)18-26-15-11-8-12-16-26)39(57)44-27(19-31(50)51)37(55)43-24(6)36(54)47-33(34(52)22(3)4)38(56)41-20-30(49)42-23(5)35(53)45-28(40(58)59)17-25-13-9-7-10-14-25/h7-16,21-24,27-28,32-34,52H,17-20H2,1-6H3,(H,41,56)(H,42,49)(H,43,55)(H,44,57)(H,45,53)(H,46,48)(H,47,54)(H,50,51)(H,58,59)/t23-,24+,27-,28+,32+,33-,34+/m1/s1

• Std. InChIKey

  AYHQEXAHORNEMG-CGBMOQSMSA-N

• Cite this record

  CSID:28530120, http://www.chemspider.com/Chemical-Structure.28530120.html (accessed 05:57, Jun 1, 2024)