2-Amino-N⁹-[(6R,9R,10S,11E,13R,18aS)-11-hydroxy-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,14-tetraoxo-2,3,4,5,6,7,9,10,13,14,16,17,18,18a-tetradecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohe xadecin-10-yl]-N¹-[(6S,9R,10S,11E,13R,18aS)-11-hydroxy-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,14-tetraoxo-2,3,4,5,6,7,9,10,13,14,16,17,18,18a-tetradecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraaza cyclohexadecin-10-yl]-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboximidic acid

More details:

• Systematic name

  2-Amino-N~9~-[(6R,9R,10S,11E,13R,18aS)-11-hydroxy-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,14-tetraoxo-2,3,4,5,6,7,9,10,13,14,16,17,18,18a-tetradecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohe xadecin-10-yl]-N~1~-[(6S,9R,10S,11E,13R,18aS)-11-hydroxy-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,14-tetraoxo-2,3,4,5,6,7,9,10,13,14,16,17,18,18a-tetradecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraaza cyclohexadecin-10-yl]-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboximidic acid

• SMILES

  Cc1ccc(c2c1oc-3c(c(=O)c(c(c3n2)C(=N[C@H]/4[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]5CCCN5C(=O)[C@H](/N=C4/O)C(C)C)C)C)C(C)C)C)O)N)C)C(=N[C@H]/6[C@H](OC(=O)[C@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](/N=C6/O)C(C)C)C)C)C(C)C)C)O

• Std. InChi

  InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48-,49+/m1/s1

• Std. InChIKey

  RJURFGZVJUQBHK-KYWMONIDSA-N

• Cite this record

  CSID:57260554, http://www.chemspider.com/Chemical-Structure.57260554.html (accessed 16:35, Apr 27, 2024)