(7S)-3-[(3S)-3-{[(2R)-2-Acetamido-4-{[(2S,3R,4R,5S,6R)-3-amino-6-({[{[{[(2R,3S,4R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydrox y)phosphoryl]oxy}methyl)-2,5-dihydroxytetrahydro-2H-pyran-4-yl]oxy}-2-methyl-3-oxopentanoyl]amino}-4-{[(2R)-1-{[(1R)-1-carboxyethyl]amino}-1-oxo-2-propanyl]amino}-4-oxobutyl]-2,7-diamino-4-oxooctanedi oic acid

More details:

• Systematic name

  (7S)-3-[(3S)-3-{[(2R)-2-Acetamido-4-{[(2S,3R,4R,5S,6R)-3-amino-6-({[{[{[(2R,3S,4R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydrox y)phosphoryl]oxy}methyl)-2,5-dihydroxytetrahydro-2H-pyran-4-yl]oxy}-2-methyl-3-oxopentanoyl]amino}-4-{[(2R)-1-{[(1R)-1-carboxyethyl]amino}-1-oxo-2-propanyl]amino}-4-oxobutyl]-2,7-diamino-4-oxooctanedi oic acid

• SMILES

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

• Std. InChi

  InChI=1S/C41H65N9O28P2/c1-14(32(58)46-15(2)35(60)61)45-33(59)20(8-6-18(25(43)37(64)65)21(52)9-7-19(42)36(62)63)47-39(67)41(5,49-17(4)51)31(57)16(3)75-30-26(44)38(66)77-23(28(30)55)13-74-80(71,72)78-79(69,70)73-12-22-27(54)29(56)34(76-22)50-11-10-24(53)48-40(50)68/h10-11,14-16,18-20,22-23,25-30,34,38,54-56,66H,6-9,12-13,42-44H2,1-5H3,(H,45,59)(H,46,58)(H,47,67)(H,49,51)(H,60,61)(H,62,63)(H,64,65)(H,69,70)(H,71,72)(H,48,53,68)/t14-,15-,16?,18?,19+,20+,22-,23-,25?,26-,27-,28-,29-,30-,34?,38+,41-/m1/s1

• Std. InChIKey

  KWIBRHGQCHIETC-CWSFPBCASA-N

• Cite this record

  CSID:4590233, http://www.chemspider.com/Chemical-Structure.4590233.html (accessed 21:24, Jun 5, 2024)