(2S,6S,9S,16S)-16-{(S)-{[(2S,3R,4R,5R)-5-(Aminomethyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]oxy}[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}- 6-[(4S)-2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl]-2-isopropyl-9-{(1S)-2-methyl-1-[(8-methyldecanoyl)oxy]propyl}-4,7,10-trioxo-3,5,8,11,15-pentaazaheptadecane-1,17-dioic acid (non-preferred name)

More details:

• Systematic name

  (2S,6S,9S,16S)-16-{(S)-{[(2S,3R,4R,5R)-5-(Aminomethyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]oxy}[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}- 6-[(4S)-2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl]-2-isopropyl-9-{(1S)-2-methyl-1-[(8-methyldecanoyl)oxy]propyl}-4,7,10-trioxo-3,5,8,11,15-pentaazaheptadecane-1,17-dioic acid (non-preferred name)

• SMILES

  CC(CCCCCCC(=O)O[C@H]([C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1OC)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O)C(O)=O)C(C)C)CC

• Std. InChi

  InChI=1S/C49H83N11O18/c1-8-25(6)14-11-9-10-12-15-29(62)76-37(24(4)5)32(57-42(67)31(26-16-20-54-47(51)55-26)59-48(72)58-30(23(2)3)44(68)69)41(66)53-19-13-18-52-33(45(70)71)38(78-46-40(74-7)34(63)27(22-50)75-46)39-35(64)36(65)43(77-39)60-21-17-28(61)56-49(60)73/h17,21,23-27,30-40,43,46,52,63-65H,8-16,18-20,22,50H2,1-7H3,(H,53,66)(H,57,67)(H,68,69)(H,70,71)(H3,51,54,55)(H,56,61,73)(H2,58,59,72)/t25?,26-,27+,30-,31-,32-,33-,34+,35-,36+,37-,38-,39-,40+,43+,46-/m0/s1

• Std. InChIKey

  VSULGNIXRPZMLV-AIQNNSQFSA-N

• Cite this record

  CSID:78442651, http://www.chemspider.com/Chemical-Structure.78442651.html (accessed 06:43, May 4, 2024)