(2S,6S,9S,16S)-16-{(S)-{[(2S,4S,5R)-5-(Aminomethyl)-4-hydroxytetrahydro-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-ami no-3,4,5,6-tetrahydro-4-pyrimidinyl]-9-[(1S)-1-hydroxy-2-methylpropyl]-2-isopropyl-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,4S,5R)-5-(Aminomethyl)-4-hydroxytetrahydro-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-ami no-3,4,5,6-tetrahydro-4-pyrimidinyl]-9-[(1S)-1-hydroxy-2-methylpropyl]-2-isopropyl-4,7,10-trioxo-3,5,8,11,15-pentaazaheptadecane-1,17-dioic acid (non-preferred name)

• SMILES

  CC(C)[C@H](NC(=O)N[C@@H]([C@@H]1CCN=C(N)N1)C(=O)N[C@@H]([C@@H](O)C(C)C)C(=O)NCCCN[C@@H]([C@H](O[C@H]1C[C@H](O)[C@@H](CN)O1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O)C(O)=O)C(O)=O

• Std. InChi

  InChI=1S/C37H61N11O16/c1-14(2)21(33(56)57)46-36(60)47-22(16-6-10-42-35(39)43-16)31(55)45-23(25(51)15(3)4)30(54)41-9-5-8-40-24(34(58)59)28(63-20-12-17(49)18(13-38)62-20)29-26(52)27(53)32(64-29)48-11-7-19(50)44-37(48)61/h7,11,14-18,20-29,32,40,49,51-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,45,55)(H,56,57)(H,58,59)(H3,39,42,43)(H,44,50,61)(H2,46,47,60)/t16-,17-,18+,20-,21-,22-,23-,24-,25-,26-,27+,28-,29-,32+/m0/s1

• Std. InChIKey

  HPUSNUZVHJNLRH-KBRLUSQLSA-N

• Cite this record

  CSID:78442673, http://www.chemspider.com/Chemical-Structure.78442673.html (accessed 18:10, May 29, 2024)