(2S,5S,6S)-2-{(R)-{[(2S,3R,4S,5R)-5-(Aminomethyl)-3,4-dihydroxytetrahydro-2-furanyl]oxy}[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}-1,4-dimethy l-6-{[(3S)-12-methyl-3-{[(3S)-3-methyl-5-oxo-5-{[(2S,3R,4R,5R,6R)-3,4,5-trimethoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}pentanoyl]oxy}tridecanoyl]oxy}-3-oxo-1,4-diazepane-5-carboxylic acid (non-prefer red name)

More details:

• Systematic name

  (2S,5S,6S)-2-{(R)-{[(2S,3R,4S,5R)-5-(Aminomethyl)-3,4-dihydroxytetrahydro-2-furanyl]oxy}[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}-1,4-dimethy l-6-{[(3S)-12-methyl-3-{[(3S)-3-methyl-5-oxo-5-{[(2S,3R,4R,5R,6R)-3,4,5-trimethoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}pentanoyl]oxy}tridecanoyl]oxy}-3-oxo-1,4-diazepane-5-carboxylic acid (non-prefer red name)

• SMILES

  CC(C)CCCCCCCC[C@@H](CC(=O)O[C@H]1CN(C)[C@@H](C(O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)C(=O)N(C)[C@@H]1C(O)=O)OC(=O)C[C@H](C)CC(=O)O[C@@H]1O[C@H](C)[C@@H](OC)[C@@H](OC)[C@H]1OC

• Std. InChi

  InChI=1S/C51H83N5O22/c1-25(2)16-14-12-10-11-13-15-17-28(73-32(58)20-26(3)21-33(59)76-50-45(71-9)44(70-8)41(69-7)27(4)72-50)22-34(60)74-30-24-54(5)36(46(65)55(6)35(30)48(66)67)42(78-49-40(64)37(61)29(23-52)75-49)43-38(62)39(63)47(77-43)56-19-18-31(57)53-51(56)68/h18-19,25-30,35-45,47,49-50,61-64H,10-17,20-24,52H2,1-9H3,(H,66,67)(H,53,57,68)/t26-,27+,28-,29+,30-,35-,36-,37+,38-,39+,40+,41+,42?,43-,44+,45+,47+,49-,50-/m0/s1

• Std. InChIKey

  PKWIDCLNQMPNGI-PVRDQFSGSA-N

• Cite this record

  CSID:78438373, http://www.chemspider.com/Chemical-Structure.78438373.html (accessed 22:09, Apr 27, 2024)