D-Tyrosylglycylglycyl-D-phenylalanyl-D-leucyl-N⁵-(diaminomethylene)ornithyl-N⁵-(diaminomethylene)-D-ornithyl-L-glutaminylphenylalanyl-L-lysyl-L-valyl-L-valyl-L-threonine

More details:

• Systematic name

  D-Tyrosylglycylglycyl-D-phenylalanyl-D-leucyl-N~5~-(diaminomethylene)ornithyl-N~5~-(diaminomethylene)-D-ornithyl-L-glutaminylphenylalanyl-L-lysyl-L-valyl-L-valyl-L-threonine

• SMILES

  C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](Cc3ccc(cc3)O)N)O

• Std. InChi

  InChI=1S/C74H115N21O17/c1-40(2)34-53(91-68(107)54(36-44-18-10-8-11-19-44)86-58(100)39-84-57(99)38-85-62(101)48(76)35-46-25-27-47(97)28-26-46)67(106)89-51(24-17-33-83-74(80)81)63(102)87-50(23-16-32-82-73(78)79)64(103)90-52(29-30-56(77)98)65(104)92-55(37-45-20-12-9-13-21-45)69(108)88-49(22-14-15-31-75)66(105)93-59(41(3)4)70(109)94-60(42(5)6)71(110)95-61(43(7)96)72(111)112/h8-13,18-21,25-28,40-43,48-55,59-61,96-97H,14-17,22-24,29-39,75-76H2,1-7H3,(H2,77,98)(H,84,99)(H,85,101)(H,86,100)(H,87,102)(H,88,108)(H,89,106)(H,90,103)(H,91,107)(H,92,104)(H,93,105)(H,94,109)(H,95,110)(H,111,112)(H4,78,79,82)(H4,80,81,83)/t43-,48-,49+,50-,51?,52+,53-,54-,55?,59+,60+,61+/m1/s1

• Std. InChIKey

  AGTSSZRZBSNTGQ-QHDWWRMQSA-N

• Cite this record

  CSID:35032554, http://www.chemspider.com/Chemical-Structure.35032554.html (accessed 14:36, Apr 27, 2024)