(2R,5R,8S,13R,16S,19R)-19-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-{[{[{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)ph osphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-8-{4-[(aminoacetyl)amino]-4-carboxybutyl}-13-carboxy-2,5,16-trimethyl-4,7,10,15,18-pentaoxo-3,6,9,14,17-pentaazaicosan-1-oic acid (non-preferred name)

More details:

• Systematic name

  (2R,5R,8S,13R,16S,19R)-19-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-{[{[{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)ph osphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-8-{4-[(aminoacetyl)amino]-4-carboxybutyl}-13-carboxy-2,5,16-trimethyl-4,7,10,15,18-pentaoxo-3,6,9,14,17-pentaazaicosan-1-oic acid (non-preferred name)

• SMILES

  C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCC(C(=O)O)NC(=O)CN)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C

• Std. InChi

  InChI=1S/C43H68N10O29P2/c1-16(34(62)47-18(3)39(66)67)46-37(65)21(7-6-8-22(40(68)69)50-28(58)13-44)49-26(56)10-9-23(41(70)71)51-35(63)17(2)45-36(64)19(4)78-33-29(48-20(5)55)42(80-24(14-54)31(33)60)81-84(75,76)82-83(73,74)77-15-25-30(59)32(61)38(79-25)53-12-11-27(57)52-43(53)72/h11-12,16-19,21-25,29-33,38,42,54,59-61H,6-10,13-15,44H2,1-5H3,(H,45,64)(H,46,65)(H,47,62)(H,48,55)(H,49,56)(H,50,58)(H,51,63)(H,66,67)(H,68,69)(H,70,71)(H,73,74)(H,75,76)(H,52,57,72)/t16-,17+,18-,19-,21+,22?,23-,24-,25-,29-,30-,31-,32-,33-,38-,42-/m1/s1

• Std. InChIKey

  VTJREARKEOUCBY-DJFZRSPDSA-N

• Cite this record

  CSID:52083913, http://www.chemspider.com/Chemical-Structure.52083913.html (accessed 10:47, May 23, 2024)