(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-[(3,4,6-trideoxy-3-{[3-(1-{(1S,2R)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl}-1H-1,2,3-triazol-4-yl)propyl](methyl)amino}-beta-D- (Q27459980)

SCHEMBL9969131 (English)

19 October 2016

chemical formula

C₅₂H₈₈FN₅O₁₅S

1 reference

SCHEMBL9969131 (English)

19 October 2016

canonical SMILES

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)CCCC4=CN(N=N4)C(CF)C(C5=CC=C(C=C5)S(=O)(=O)C)O)O)(C)O)C)C)C)O)(C)O

1 reference

SCHEMBL9969131 (English)

19 October 2016

isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)CCCC4=CN(N=N4)[C@H](CF)[C@@H](C5=CC=C(C=C5)S(=O)(=O)C)O)O)(C)O)C)C)C)O)(C)O

1 reference

SCHEMBL9969131 (English)

InChI=1S/C52H88FN5O15S/c1-15-40-52(10,65)45(61)33(6)57(12)27-29(2)24-50(8,64)47(31(4)44(32(5)48(63)71-40)72-41-25-51(9,68-13)46(62)34(7)70-41)73-49-43(60)38(23-30(3)69-49)56(11)22-16-17-36-28-58(55-54-36)39(26-53)42(59)35-18-20-37(21-19-35)74(14,66)67/h18-21,28-34,38-47,49,59-62,64-65H,15-17,22-27H2,1-14H3/t29-,30-,31+,32-,33-,34+,38+,39-,40-,41+,42-,43-,44+,45-,46+,47-,49+,50-,51-,52-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

SCHEMBL9969131 (English)

YWHOXJJBJDOIMO-BOBSHVDTSA-N

19 October 2016

InChIKey

1 reference

SCHEMBL9969131 (English)

19 October 2016

1 reference

(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-Ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-[(3,4,6-trideoxy-3-{[3-(1-{(1R,2S)-3-fluoro-1-hydroxy-1-[4-(methylsulfonyl)phenyl]-2-propanyl}-1H- (English)

19 October 2016

1 reference