(2R,5S,10R,13S)-16-{[(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}phosphinato)oxy]phosphinato}oxy)-5-hydroxy-6- (hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-5-[(4R)-4-ammonio-4-carboxylatobutyl]-10-carboxylato-2,13-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazaheptadecan-1-oate

More details:

• Systematic name

  (2R,5S,10R,13S)-16-{[(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}phosphinato)oxy]phosphinato}oxy)-5-hydroxy-6- (hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-5-[(4R)-4-ammonio-4-carboxylatobutyl]-10-carboxylato-2,13-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazaheptadecan-1-oate

• SMILES

  C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)C(C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)CO)O

• Std. InChi

  InChI=1S/C38H60N8O27P2/c1-14(30(54)44-20(36(61)62)8-9-23(49)43-19(7-5-6-18(39)35(59)60)32(56)41-15(2)34(57)58)40-31(55)16(3)69-29-25(42-17(4)48)37(71-21(12-47)27(29)52)72-75(66,67)73-74(64,65)68-13-22-26(51)28(53)33(70-22)46-11-10-24(50)45-38(46)63/h10-11,14-16,18-22,25-29,33,37,47,51-53H,5-9,12-13,39H2,1-4H3,(H,40,55)(H,41,56)(H,42,48)(H,43,49)(H,44,54)(H,57,58)(H,59,60)(H,61,62)(H,64,65)(H,66,67)(H,45,50,63)/p-4/t14-,15+,16?,18+,19-,20+,21+,22+,25+,26+,27+,28+,29+,33+,37?/m0/s1

• Std. InChIKey

  GTTWNLXGSDZECO-YQQWFQAASA-J

• Cite this record

  CSID:28184633, http://www.chemspider.com/Chemical-Structure.28184633.html (accessed 21:23, Apr 28, 2024)