N-Methyl-D-phenylalanyl-L-isoleucyl-L-seryl-D-glutaminyl-D-isoleucyl-L-isoleucyl-N-[(3S,6S,9S,12R,13S)-3-[(2S)-2-butanyl]-6-{[(4S)-2-imino-4-imidazolidinyl]methyl}-9,13-dimethyl-2,5,8,11-tetraoxo-1-ox a-4,7,10-triazacyclotridecan-12-yl]-L-serinamide

More details:

• Systematic name

  N-Methyl-D-phenylalanyl-L-isoleucyl-L-seryl-D-glutaminyl-D-isoleucyl-L-isoleucyl-N-[(3S,6S,9S,12R,13S)-3-[(2S)-2-butanyl]-6-{[(4S)-2-imino-4-imidazolidinyl]methyl}-9,13-dimethyl-2,5,8,11-tetraoxo-1-ox a-4,7,10-triazacyclotridecan-12-yl]-L-serinamide

• SMILES

  CN[C@H](CC1C=CC=CC=1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H](C)OC(=O)[C@@H](NC(=O)[C@H](C[C@H]2CNC(=N)N2)NC(=O)[C@H](C)NC1=O)[C@@H](C)CC

• Std. InChi

  InChI=1S/C58H95N15O15/c1-12-28(5)42(70-49(79)37(61-11)23-34-19-17-16-18-20-34)53(83)67-39(26-74)51(81)65-36(21-22-41(59)76)48(78)69-44(30(7)14-3)55(85)71-43(29(6)13-2)54(84)68-40(27-75)52(82)73-46-33(10)88-57(87)45(31(8)15-4)72-50(80)38(24-35-25-62-58(60)64-35)66-47(77)32(9)63-56(46)86/h16-20,28-33,35-40,42-46,61,74-75H,12-15,21-27H2,1-11H3,(H2,59,76)(H,63,86)(H,65,81)(H,66,77)(H,67,83)(H,68,84)(H,69,78)(H,70,79)(H,71,85)(H,72,80)(H,73,82)(H3,60,62,64)/t28-,29-,30+,31-,32-,33-,35-,36+,37+,38-,39-,40-,42-,43-,44+,45-,46+/m0/s1

• Std. InChIKey

  LMBFAGIMSUYTBN-IIRRRCHSSA-N

• Cite this record

  CSID:76789515, http://www.chemspider.com/Chemical-Structure.76789515.html (accessed 11:12, Apr 16, 2024)