N-{2-[(2R,2'R,4a'S,6'R,8a'S)-4,6'-Dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3',4',4a',5',6,6',7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7(3H)-yl]-4-(methylsulfinyl)butanoyl} histidylglutaminylprolylhistidylglutaminylprolylleucylprolylproline

More details:

• Systematic name

  N-{2-[(2R,2'R,4a'S,6'R,8a'S)-4,6'-Dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3',4',4a',5',6,6',7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7(3H)-yl]-4-(methylsulfinyl)butanoyl} histidylglutaminylprolylhistidylglutaminylprolylleucylprolylproline

• SMILES

  CC1(C)[C@@H]2CC[C@@H](C)[C@]3(CC4C(O3)=C3CN(C(CCS(C)=O)C(=O)NC(CC5=CN=CN5)C(=O)NC(CCC(N)=O)C(=O)N5CCCC5C(=O)NC(CC5=CN=CN5)C(=O)NC(CCC(N)=O)C(=O)N5CCCC5C(=O)NC(CC(C)C)C(=O)N5CCCC5C(=O)N5CCCC5C(O)=O)C(=O)C3=CC=4O)[C@@]2(C)CC[C@H]1O

• Std. InChi

  InChI=1S/C76H108N16O18S/c1-40(2)30-51(71(105)90-27-10-14-55(90)72(106)91-28-11-15-56(91)73(107)108)87-66(100)53-13-9-26-89(53)70(104)48(18-21-61(78)96)83-63(97)49(31-42-35-79-38-81-42)85-65(99)52-12-8-25-88(52)69(103)47(17-20-60(77)95)84-64(98)50(32-43-36-80-39-82-43)86-67(101)54(23-29-111(7)109)92-37-46-44(68(92)102)33-57(93)45-34-76(110-62(45)46)41(3)16-19-58-74(4,5)59(94)22-24-75(58,76)6/h33,35-36,38-41,47-56,58-59,93-94H,8-32,34,37H2,1-7H3,(H2,77,95)(H2,78,96)(H,79,81)(H,80,82)(H,83,97)(H,84,98)(H,85,99)(H,86,101)(H,87,100)(H,107,108)/t41-,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,58+,59-,75+,76-,111?/m1/s1

• Std. InChIKey

  GRBLBISGALXJDT-LHTGWLQBSA-N

• Cite this record

  CSID:78445404, http://www.chemspider.com/Chemical-Structure.78445404.html (accessed 06:36, May 29, 2024)