N-{[(2E,5E,14E,22E,25E,28E,31E,39E,42E,45E,51E)-21-Amino-27-(2-carboxyethyl)-3,6,15,22,25,28,31,40,43,46,51-undecahydroxy-30-(4-hydroxybenzyl)-44-(1-hydroxyethyl)-13-(2-hydroxy-2-iminoethyl)-4-methyl- 12-oxo-18,19,35,36,48,49-hexathia-2,5,11,14,23,26,29,32,39,42,45,52-dodecaazatetracyclo[22.22.4.2^16,33.0^7,11]dopentaconta-2,5,14,22,25,28,31,39,42,45,51-undecaen-38-yl](hydroxy)methylene}tyrosine

More details:

• Systematic name

  N-{[(2E,5E,14E,22E,25E,28E,31E,39E,42E,45E,51E)-21-Amino-27-(2-carboxyethyl)-3,6,15,22,25,28,31,40,43,46,51-undecahydroxy-30-(4-hydroxybenzyl)-44-(1-hydroxyethyl)-13-(2-hydroxy-2-iminoethyl)-4-methyl- 12-oxo-18,19,35,36,48,49-hexathia-2,5,11,14,23,26,29,32,39,42,45,52-dodecaazatetracyclo[22.22.4.2~16,33~.0~7,11~]dopentaconta-2,5,14,22,25,28,31,39,42,45,51-undecaen-38-yl](hydroxy)methylene}tyrosine

• SMILES

  CC/1/C(=N\C/2CSSCC/3/C(=N\C(/C(=N\C(/C(=N\C(CSSCC(/N=C(\C/N=C(\C(/N=C2/O)C(C)O)/O)/O)C(=NC(Cc4ccc(cc4)O)C(=O)O)O)/C(=N\C(CSSCC(/C(=N3)/O)N)/C(=N\C(C(=O)N5CCCC5/C(=N1)/O)CC(=N)O)/O)/O)/O)Cc6ccc(cc6)O)/O)CCC(=O)O)/O)/O

• Std. InChi

  InChI=1S/C59H79N15O21S6/c1-26-47(82)69-41-25-101-99-22-38-52(87)65-33(13-14-45(80)81)49(84)66-34(16-28-5-9-30(76)10-6-28)50(85)71-40(54(89)72-39(23-97-96-20-32(60)48(83)70-38)53(88)67-35(18-43(61)78)58(93)74-15-3-4-42(74)56(91)63-26)24-100-98-21-37(64-44(79)19-62-57(92)46(27(2)75)73-55(41)90)51(86)68-36(59(94)95)17-29-7-11-31(77)12-8-29/h5-12,26-27,32-42,46,75-77H,3-4,13-25,60H2,1-2H3,(H2,61,78)(H,62,92)(H,63,91)(H,64,79)(H,65,87)(H,66,84)(H,67,88)(H,68,86)(H,69,82)(H,70,83)(H,71,85)(H,72,89)(H,73,90)(H,80,81)(H,94,95)

• Std. InChIKey

  KXGCNMMJRFDFNR-UHFFFAOYSA-N

• Cite this record

  CSID:57260966, http://www.chemspider.com/Chemical-Structure.57260966.html (accessed 11:02, Apr 25, 2024)