(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-methylnonanoyl)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-methylnonanoyl)oxy]propyl}-4,7,10-trioxo-3,5,8,11,15-pentaazaheptadecane-1,17-dioic acid (non-preferred name)

• SMILES

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

• Std. InChi

  InChI=1S/C48H81N11O18/c1-22(2)13-10-8-9-11-14-28(61)75-36(24(5)6)31(56-41(66)30(25-15-19-53-46(50)54-25)58-47(71)57-29(23(3)4)43(67)68)40(65)52-18-12-17-51-32(44(69)70)37(77-45-39(73-7)33(62)26(21-49)74-45)38-34(63)35(64)42(76-38)59-20-16-27(60)55-48(59)72/h16,20,22-26,29-39,42,45,51,62-64H,8-15,17-19,21,49H2,1-7H3,(H,52,65)(H,56,66)(H,67,68)(H,69,70)(H3,50,53,54)(H,55,60,72)(H2,57,58,71)/t25-,26+,29-,30-,31-,32-,33+,34-,35+,36-,37-,38-,39+,42+,45-/m0/s1

• Std. InChIKey

  BLAVBWWNNRSHJN-UVJWUOELSA-N

• Cite this record

  CSID:78442677, http://www.chemspider.com/Chemical-Structure.78442677.html (accessed 04:54, Apr 28, 2024)