(2R,3S,4S,5S,6R)-2-{[(2S,3S,4S,5R,6R)-2-[(1S,2R)-3-{[(2S,3S,4R)-5-{[(2R,3S)-1-({2-[4-({3-[(4-Aminobutyl)amino]propyl}carbamoyl)-2,4'-bi-1,3-thiazol-2'-yl]ethyl}amino)-3-hydroxy-1-oxo-2-butanyl]amino}- 3-hydroxy-4-methyl-5-oxo-2-pentanyl]amino}-2-[({2-[(1R)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-6-imino-5-methyl-1,6-dihydro-4-pyrimidinyl}carbonyl)amino]-1-(1H-imidazol-5-yl)-3-o xopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl carbamate (non-preferred name)

More details:

• Systematic name

  (2R,3S,4S,5S,6R)-2-{[(2S,3S,4S,5R,6R)-2-[(1S,2R)-3-{[(2S,3S,4R)-5-{[(2R,3S)-1-({2-[4-({3-[(4-Aminobutyl)amino]propyl}carbamoyl)-2,4'-bi-1,3-thiazol-2'-yl]ethyl}amino)-3-hydroxy-1-oxo-2-butanyl]amino}- 3-hydroxy-4-methyl-5-oxo-2-pentanyl]amino}-2-[({2-[(1R)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-6-imino-5-methyl-1,6-dihydro-4-pyrimidinyl}carbonyl)amino]-1-(1H-imidazol-5-yl)-3-o xopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl carbamate (non-preferred name)

• SMILES

  CC1C(=N)NC(=NC=1C(=O)N[C@H]([C@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](OC(N)=O)[C@@H]1O)C1=CN=CN1)C(=O)N[C@@H](C)[C@@H](O)[C@@H](C)C(=O)N[C@H]([C@H](C)O)C(=O)NCCC1=NC(=CS1)C1=NC(=CS1)C(=O)NCCCNCCCCN)[C@@H](CC(N)=O)NC[C@H](N)C(N)=O

• Std. InChi

  InChI=1S/C57H89N19O21S2/c1-22-35(73-48(76-46(22)61)27(14-33(60)80)68-15-26(59)47(62)86)52(90)75-37(43(28-16-65-21-69-28)95-56-45(41(84)39(82)31(17-77)94-56)96-55-42(85)44(97-57(63)92)40(83)32(18-78)93-55)53(91)70-24(3)38(81)23(2)49(87)74-36(25(4)79)51(89)67-13-8-34-71-30(20-98-34)54-72-29(19-99-54)50(88)66-12-7-11-64-10-6-5-9-58/h16,19-21,23-27,31-32,36-45,55-56,64,68,77-79,81-85H,5-15,17-18,58-59H2,1-4H3,(H2,60,80)(H2,62,86)(H2,63,92)(H,65,69)(H,66,88)(H,67,89)(H,70,91)(H,74,87)(H,75,90)(H2,61,73,76)/t23-,24+,25+,26+,27-,31-,32-,36-,37-,38+,39+,40+,41+,42+,43-,44+,45+,55-,56-/m1/s1

• Std. InChIKey

  QYOAUOAXCQAEMW-MIYCQYPESA-N

• Cite this record

  CSID:59701011, http://www.chemspider.com/Chemical-Structure.59701011.html (accessed 07:03, Apr 16, 2024)