(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-oxazol-2-yl]-2-pyridinyl]-4-methylpentanamide;(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]-4-methylpentanamide;N-[(1R,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-thiazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide

C144H217F3N20O36S2 — CID 172973940

IUPAC(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-oxazol-2-yl]-2-pyridinyl]-4-methylpentanamide;(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]-4-methylpentanamide;N-[(1R,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-thiazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide
SMILESCCC(=O)/N=C1\[C@H](C)C[C@@]2(C)OC/C(=N/OCc3coc(-c4cccc(NC(=O)[C@@H](N)CC(C)C)n4)n3)CO[C@H]([C@H]1C)[C@](C)(O)[C@@H](CC)OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@H]2O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O.CCC(=O)/N=C1\[C@H](C)C[C@@]2(C)OC/C(=N/OCc3csc(-c4cccc(N)n4)n3)CO[C@H]([C@H]1C)[C@](C)(O)[C@@H](CC)OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@H]2O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O.CCC(=O)/N=C1\[C@H](C)C[C@@]2(C)OC/C(=N/OCc3csc(-c4cccc(NC(=O)[C@@H](N)CC(C)C)n4)n3)CO[C@H]([C@H]1C)[C@](C)(O)[C@@H](CC)OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@H]2O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O
InChIInChI=1S/C50H76FN7O13.C50H76FN7O12S.C44H65FN6O11S/c1-14-36-50(11,64)43-29(7)39(56-38(59)15-2)27(5)21-48(9,42(30(8)41(61)49(10,51)47(63)70-36)71-46-40(60)35(58(12)13)20-28(6)69-46)67-24-32(23-65-43)57-68-25-31-22-66-45(53-31)34-17-16-18-37(54-34)55-44(62)33(52)19-26(3)4;1-14-36-50(11,64)43-29(7)39(56-38(59)15-2)27(5)21-48(9,42(30(8)41(61)49(10,51)47(63)69-36)70-46-40(60)35(58(12)13)20-28(6)68-46)66-23-31(22-65-43)57-67-24-32-25-71-45(53-32)34-17-16-18-37(54-34)55-44(62)33(52)19-26(3)4;1-12-31-44(9,56)38-25(5)34(49-33(52)13-2)23(3)18-42(7,58-20-27(19-57-38)50-59-21-28-22-63-39(47-28)29-15-14-16-32(46)48-29)37(26(6)36(54)43(8,45)41(55)61-31)62-40-35(53)30(51(10)11)17-24(4)60-40/h16-18,22,26-30,33,35-36,40,42-43,46,60,64H,14-15,19-21,23-25,52H2,1-13H3,(H,54,55,62);16-18,25-30,33,35-36,40,42-43,46,60,64H,14-15,19-24,52H2,1-13H3,(H,54,55,62);14-16,22-26,30-31,35,37-38,40,53,56H,12-13,17-21H2,1-11H3,(H2,46,48)/b56-39+,57-32+;56-39+,57-31+;49-34+,50-27+/t2*27-,28-,29+,30+,33+,35+,36-,40-,42-,43-,46+,48-,49+,50-;23-,24-,25+,26+,30+,31-,35-,37-,38-,40+,42-,43+,44-/m111/s1
InChIKeyCRLIPSODRQJRIO-NOVIGTFKSA-N
MW2925.55 g/mol
LogP15.11
Rot. Bonds35

About (2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-oxazol-2-yl]-2-pyridinyl]-4-methylpentanamide;(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]-4-methylpentanamide;N-[(1R,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-thiazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide

(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-oxazol-2-yl]-2-pyridinyl]-4-methylpentanamide;(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]-4-methylpentanamide;N-[(1R,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-thiazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide (PubChem CID 172973940) has the molecular formula C144H217F3N20O36S2 and a molecular weight of 2925.55 g/mol. Its IUPAC name is (2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-oxazol-2-yl]-2-pyridinyl]-4-methylpentanamide;(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]-4-methylpentanamide;N-[(1R,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-thiazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-oxazol-2-yl]-2-pyridinyl]-4-methylpentanamide;(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]-4-methylpentanamide;N-[(1R,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-thiazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide
PubChem CID172973940
Molecular FormulaC144H217F3N20O36S2
Molecular Weight2925.55 g/mol
Exact Mass2923.52
IUPAC Name(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-oxazol-2-yl]-2-pyridinyl]-4-methylpentanamide;(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]-4-methylpentanamide;N-[(1R,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-thiazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide
SMILESCCC(=O)/N=C1\[C@H](C)C[C@@]2(C)OC/C(=N/OCc3coc(-c4cccc(NC(=O)[C@@H](N)CC(C)C)n4)n3)CO[C@H]([C@H]1C)[C@](C)(O)[C@@H](CC)OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@H]2O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O.CCC(=O)/N=C1\[C@H](C)C[C@@]2(C)OC/C(=N/OCc3csc(-c4cccc(N)n4)n3)CO[C@H]([C@H]1C)[C@](C)(O)[C@@H](CC)OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@H]2O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O.CCC(=O)/N=C1\[C@H](C)C[C@@]2(C)OC/C(=N/OCc3csc(-c4cccc(NC(=O)[C@@H](N)CC(C)C)n4)n3)CO[C@H]([C@H]1C)[C@](C)(O)[C@@H](CC)OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@H]2O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O
InChIInChI=1S/C50H76FN7O13.C50H76FN7O12S.C44H65FN6O11S/c1-14-36-50(11,64)43-29(7)39(56-38(59)15-2)27(5)21-48(9,42(30(8)41(61)49(10,51)47(63)70-36)71-46-40(60)35(58(12)13)20-28(6)69-46)67-24-32(23-65-43)57-68-25-31-22-66-45(53-31)34-17-16-18-37(54-34)55-44(62)33(52)19-26(3)4;1-14-36-50(11,64)43-29(7)39(56-38(59)15-2)27(5)21-48(9,42(30(8)41(61)49(10,51)47(63)69-36)70-46-40(60)35(58(12)13)20-28(6)68-46)66-23-31(22-65-43)57-67-24-32-25-71-45(53-32)34-17-16-18-37(54-34)55-44(62)33(52)19-26(3)4;1-12-31-44(9,56)38-25(5)34(49-33(52)13-2)23(3)18-42(7,58-20-27(19-57-38)50-59-21-28-22-63-39(47-28)29-15-14-16-32(46)48-29)37(26(6)36(54)43(8,45)41(55)61-31)62-40-35(53)30(51(10)11)17-24(4)60-40/h16-18,22,26-30,33,35-36,40,42-43,46,60,64H,14-15,19-21,23-25,52H2,1-13H3,(H,54,55,62);16-18,25-30,33,35-36,40,42-43,46,60,64H,14-15,19-24,52H2,1-13H3,(H,54,55,62);14-16,22-26,30-31,35,37-38,40,53,56H,12-13,17-21H2,1-11H3,(H2,46,48)/b56-39+,57-32+;56-39+,57-31+;49-34+,50-27+/t2*27-,28-,29+,30+,33+,35+,36-,40-,42-,43-,46+,48-,49+,50-;23-,24-,25+,26+,30+,31-,35-,37-,38-,40+,42-,43+,44-/m111/s1
InChIKeyCRLIPSODRQJRIO-NOVIGTFKSA-N
XLogP15.11
TPSA751.77 Ų
H-Bond Donors11
H-Bond Acceptors53
Rotatable Bonds35
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002925.55
LogP ≤ 515.11
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1053

Analyze (2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-oxazol-2-yl]-2-pyridinyl]-4-methylpentanamide;(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]-4-methylpentanamide;N-[(1R,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-thiazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[6-[4-[[(E)-[(1R,3R,8R,9R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]propanamide
CID 25230025
(2S)-2-amino-N-[6-[4-[[[(1R,2R,3R,6S,8R,9R,10R,16E,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-(propanoylamino)-4,11,15-trioxabicyclo[8.5.4]nonadec-16-en-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]-4-methylpentanamide
CID 123778767
N-[(1R,2S,3R,6S,8R,9R,10R,13E,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-oxazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide
CID 89142482
(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2S,3R,6S,8S,9R,10R,16R,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2,7-dihydroxy-2,6,8,10,16,18-hexamethyl-5-oxo-17-propanoylimino-4,11-dioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]-4-methylpentanamide
CID 172934545
N-[(1R,2R,3R,6S,8R,9R,10R,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-thiazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadec-16-en-17-yl]propanamide
CID 90956949
acetic acid;(2S)-2,6-diamino-N-[2-[6-[[(E)-[(1S,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-3-pyridinyl]-1,3-thiazol-4-yl]hexanamide
CID 46893456
(2S)-2-amino-N-[2-[6-[[(E)-[(1S,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-3-pyridinyl]-1,3-thiazol-4-yl]pentanediamide;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
CID 46893590
(2S)-2,6-diamino-N-[2-[6-[[(E)-[(1S,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-3-pyridinyl]-1,3-thiazol-4-yl]hexanamide;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
CID 46893329
N-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-13-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide;O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7,13-trione;iodomethane;methane
CID 159947321
4-[[(E)-[(1S,2R,3R,6S,8R,9R,10R,16S,18R)-17-acetylimino-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]benzamide
CID 23351149
N-[(1R,3R,6S,8R,9R,10R,13E,16R,18R)-13-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11-dioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide
CID 89044346
N-[(1S,2R,3R,6S,8R,9R,10R,13E,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-13-[(5-pyrazin-2-ylthiophen-2-yl)methoxyimino]-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide
CID 42602437

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-oxazol-2-yl]-2-pyridinyl]-4-methylpentanamide;(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]-4-methylpentanamide;N-[(1R,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-thiazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide?
The IUPAC name of (2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-oxazol-2-yl]-2-pyridinyl]-4-methylpentanamide;(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]-4-methylpentanamide;N-[(1R,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-thiazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide (CID 172973940) is (2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-oxazol-2-yl]-2-pyridinyl]-4-methylpentanamide;(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]-4-methylpentanamide;N-[(1R,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-thiazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-oxazol-2-yl]-2-pyridinyl]-4-methylpentanamide;(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]-4-methylpentanamide;N-[(1R,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-thiazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide?
The canonical SMILES for (2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-oxazol-2-yl]-2-pyridinyl]-4-methylpentanamide;(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]-4-methylpentanamide;N-[(1R,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-thiazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide is CCC(=O)/N=C1\[C@H](C)C[C@@]2(C)OC/C(=N/OCc3coc(-c4cccc(NC(=O)[C@@H](N)CC(C)C)n4)n3)CO[C@H]([C@H]1C)[C@](C)(O)[C@@H](CC)OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@H]2O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O.CCC(=O)/N=C1\[C@H](C)C[C@@]2(C)OC/C(=N/OCc3csc(-c4cccc(N)n4)n3)CO[C@H]([C@H]1C)[C@](C)(O)[C@@H](CC)OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@H]2O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O.CCC(=O)/N=C1\[C@H](C)C[C@@]2(C)OC/C(=N/OCc3csc(-c4cccc(NC(=O)[C@@H](N)CC(C)C)n4)n3)CO[C@H]([C@H]1C)[C@](C)(O)[C@@H](CC)OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@H]2O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O.
What is the InChIKey of (2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-oxazol-2-yl]-2-pyridinyl]-4-methylpentanamide;(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]-4-methylpentanamide;N-[(1R,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-thiazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide?
The InChIKey is CRLIPSODRQJRIO-NOVIGTFKSA-N. The full InChI is InChI=1S/C50H76FN7O13.C50H76FN7O12S.C44H65FN6O11S/c1-14-36-50(11,64)43-29(7)39(56-38(59)15-2)27(5)21-48(9,42(30(8)41(61)49(10,51)47(63)70-36)71-46-40(60)35(58(12)13)20-28(6)69-46)67-24-32(23-65-43)57-68-25-31-22-66-45(53-31)34-17-16-18-37(54-34)55-44(62)33(52)19-26(3)4;1-14-36-50(11,64)43-29(7)39(56-38(59)15-2)27(5)21-48(9,42(30(8)41(61)49(10,51)47(63)69-36)70-46-40(60)35(58(12)13)20-28(6)68-46)66-23-31(22-65-43)57-67-24-32-25-71-45(53-32)34-17-16-18-37(54-34)55-44(62)33(52)19-26(3)4;1-12-31-44(9,56)38-25(5)34(49-33(52)13-2)23(3)18-42(7,58-20-27(19-57-38)50-59-21-28-22-63-39(47-28)29-15-14-16-32(46)48-29)37(26(6)36(54)43(8,45)41(55)61-31)62-40-35(53)30(51(10)11)17-24(4)60-40/h16-18,22,26-30,33,35-36,40,42-43,46,60,64H,14-15,19-21,23-25,52H2,1-13H3,(H,54,55,62);16-18,25-30,33,35-36,40,42-43,46,60,64H,14-15,19-24,52H2,1-13H3,(H,54,55,62);14-16,22-26,30-31,35,37-38,40,53,56H,12-13,17-21H2,1-11H3,(H2,46,48)/b56-39+,57-32+;56-39+,57-31+;49-34+,50-27+/t2*27-,28-,29+,30+,33+,35+,36-,40-,42-,43-,46+,48-,49+,50-;23-,24-,25+,26+,30+,31-,35-,37-,38-,40+,42-,43+,44-/m111/s1.
What are the key properties of (2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-oxazol-2-yl]-2-pyridinyl]-4-methylpentanamide;(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]-4-methylpentanamide;N-[(1R,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-thiazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide?
(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-oxazol-2-yl]-2-pyridinyl]-4-methylpentanamide;(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]-4-methylpentanamide;N-[(1R,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-thiazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide has a molecular weight of 2925.55 g/mol, XLogP of 15.11, 35 rotatable bonds, 11 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-oxazol-2-yl]-2-pyridinyl]-4-methylpentanamide;(2S)-2-amino-N-[6-[4-[[(E)-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-17-propanoylimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-13-ylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-pyridinyl]-4-methylpentanamide;N-[(1R,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-thiazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide is sourced from PubChem (CID 172973940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).