N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[5-(furan-2-yl)-3-pyridinyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-thiophen-2-yl-3-pyridinyl)acetamide

C207H282F5N13O53S2 — CID 159023774

IUPACN-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[5-(furan-2-yl)-3-pyridinyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-thiophen-2-yl-3-pyridinyl)acetamide
SMILESCC1CC(C)C(O)C(O[C@@H]2[C@@H](C)C(=O)[C@](C)(F)C(=O)O[C@H](CCNC(=O)Cc3ccc(-c4ccccn4)s3)[C@@]3(C)OC(=O)N[C@@H]3[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1.CC1CC(C)C(O)C(O[C@@H]2[C@@H](C)C(=O)[C@](C)(F)C(=O)O[C@H](CCNC(=O)Cc3cccc(-c4ccco4)c3)[C@@]3(C)OC(=O)N[C@@H]3[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1.CC1CC(C)C(O)C(O[C@@H]2[C@@H](C)C(=O)[C@](C)(F)C(=O)O[C@H](CCNC(=O)Cc3ccccc3-c3ccco3)[C@@]3(C)OC(=O)N[C@@H]3[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1.CC1CC(C)C(O)C(O[C@@H]2[C@@H](C)C(=O)[C@](C)(F)C(=O)O[C@H](CCNC(=O)Cc3cncc(-c4ccco4)c3)[C@@]3(C)OC(=O)N[C@@H]3[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1.CC1CC(C)C(O)C(O[C@@H]2[C@@H](C)C(=O)[C@](C)(F)C(=O)O[C@H](CCNC(=O)Cc3cncc(-c4cccs4)c3)[C@@]3(C)OC(=O)N[C@@H]3[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1
InChIInChI=1S/2C42H57FN2O11.C41H56FN3O11.2C41H56FN3O10S/c1-22-18-24(3)53-37(33(22)48)55-36-26(5)35(49)41(8,43)38(50)54-30(15-16-44-31(46)20-27-12-10-13-28(19-27)29-14-11-17-52-29)42(9)34(45-39(51)56-42)25(4)32(47)23(2)21-40(36,6)7;1-22-19-24(3)53-37(33(22)48)55-36-26(5)35(49)41(8,43)38(50)54-30(16-17-44-31(46)20-27-13-10-11-14-28(27)29-15-12-18-52-29)42(9)34(45-39(51)56-42)25(4)32(47)23(2)21-40(36,6)7;1-21-15-23(3)53-36(32(21)48)55-35-25(5)34(49)40(8,42)37(50)54-29(12-13-44-30(46)17-26-16-27(20-43-19-26)28-11-10-14-52-28)41(9)33(45-38(51)56-41)24(4)31(47)22(2)18-39(35,6)7;1-21-15-23(3)52-36(32(21)48)54-35-25(5)34(49)40(8,42)37(50)53-29(12-13-44-30(46)17-26-16-27(20-43-19-26)28-11-10-14-56-28)41(9)33(45-38(51)55-41)24(4)31(47)22(2)18-39(35,6)7;1-21-18-23(3)52-36(32(21)48)54-35-25(5)34(49)40(8,42)37(50)53-29(15-17-44-30(46)19-26-13-14-28(56-26)27-12-10-11-16-43-27)41(9)33(45-38(51)55-41)24(4)31(47)22(2)20-39(35,6)7/h10-14,17,19,22-26,30,33-34,36-37,48H,15-16,18,20-21H2,1-9H3,(H,44,46)(H,45,51);10-15,18,22-26,30,33-34,36-37,48H,16-17,19-21H2,1-9H3,(H,44,46)(H,45,51);2*10-11,14,16,19-25,29,32-33,35-36,48H,12-13,15,17-18H2,1-9H3,(H,44,46)(H,45,51);10-14,16,21-25,29,32-33,35-36,48H,15,17-20H2,1-9H3,(H,44,46)(H,45,51)/t2*22?,23-,24?,25+,26+,30-,33?,34-,36-,37?,41+,42-;3*21?,22-,23?,24+,25+,29-,32?,33-,35-,36?,40+,41-/m11111/s1
InChIKeyJUAPDAGXXQNOEQ-YUMRGUOPSA-N
MW3959.69 g/mol
LogP26.60
Rot. Bonds40

About N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[5-(furan-2-yl)-3-pyridinyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-thiophen-2-yl-3-pyridinyl)acetamide

N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[5-(furan-2-yl)-3-pyridinyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-thiophen-2-yl-3-pyridinyl)acetamide (PubChem CID 159023774) has the molecular formula C207H282F5N13O53S2 and a molecular weight of 3959.69 g/mol. Its IUPAC name is N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[5-(furan-2-yl)-3-pyridinyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-thiophen-2-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[5-(furan-2-yl)-3-pyridinyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-thiophen-2-yl-3-pyridinyl)acetamide
PubChem CID159023774
Molecular FormulaC207H282F5N13O53S2
Molecular Weight3959.69 g/mol
Exact Mass3956.91
IUPAC NameN-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[5-(furan-2-yl)-3-pyridinyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-thiophen-2-yl-3-pyridinyl)acetamide
SMILESCC1CC(C)C(O)C(O[C@@H]2[C@@H](C)C(=O)[C@](C)(F)C(=O)O[C@H](CCNC(=O)Cc3ccc(-c4ccccn4)s3)[C@@]3(C)OC(=O)N[C@@H]3[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1.CC1CC(C)C(O)C(O[C@@H]2[C@@H](C)C(=O)[C@](C)(F)C(=O)O[C@H](CCNC(=O)Cc3cccc(-c4ccco4)c3)[C@@]3(C)OC(=O)N[C@@H]3[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1.CC1CC(C)C(O)C(O[C@@H]2[C@@H](C)C(=O)[C@](C)(F)C(=O)O[C@H](CCNC(=O)Cc3ccccc3-c3ccco3)[C@@]3(C)OC(=O)N[C@@H]3[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1.CC1CC(C)C(O)C(O[C@@H]2[C@@H](C)C(=O)[C@](C)(F)C(=O)O[C@H](CCNC(=O)Cc3cncc(-c4ccco4)c3)[C@@]3(C)OC(=O)N[C@@H]3[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1.CC1CC(C)C(O)C(O[C@@H]2[C@@H](C)C(=O)[C@](C)(F)C(=O)O[C@H](CCNC(=O)Cc3cncc(-c4cccs4)c3)[C@@]3(C)OC(=O)N[C@@H]3[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1
InChIInChI=1S/2C42H57FN2O11.C41H56FN3O11.2C41H56FN3O10S/c1-22-18-24(3)53-37(33(22)48)55-36-26(5)35(49)41(8,43)38(50)54-30(15-16-44-31(46)20-27-12-10-13-28(19-27)29-14-11-17-52-29)42(9)34(45-39(51)56-42)25(4)32(47)23(2)21-40(36,6)7;1-22-19-24(3)53-37(33(22)48)55-36-26(5)35(49)41(8,43)38(50)54-30(16-17-44-31(46)20-27-13-10-11-14-28(27)29-15-12-18-52-29)42(9)34(45-39(51)56-42)25(4)32(47)23(2)21-40(36,6)7;1-21-15-23(3)53-36(32(21)48)55-35-25(5)34(49)40(8,42)37(50)54-29(12-13-44-30(46)17-26-16-27(20-43-19-26)28-11-10-14-52-28)41(9)33(45-38(51)56-41)24(4)31(47)22(2)18-39(35,6)7;1-21-15-23(3)52-36(32(21)48)54-35-25(5)34(49)40(8,42)37(50)53-29(12-13-44-30(46)17-26-16-27(20-43-19-26)28-11-10-14-56-28)41(9)33(45-38(51)55-41)24(4)31(47)22(2)18-39(35,6)7;1-21-18-23(3)52-36(32(21)48)54-35-25(5)34(49)40(8,42)37(50)53-29(15-17-44-30(46)19-26-13-14-28(56-26)27-12-10-11-16-43-27)41(9)33(45-38(51)55-41)24(4)31(47)22(2)20-39(35,6)7/h10-14,17,19,22-26,30,33-34,36-37,48H,15-16,18,20-21H2,1-9H3,(H,44,46)(H,45,51);10-15,18,22-26,30,33-34,36-37,48H,16-17,19-21H2,1-9H3,(H,44,46)(H,45,51);2*10-11,14,16,19-25,29,32-33,35-36,48H,12-13,15,17-18H2,1-9H3,(H,44,46)(H,45,51);10-14,16,21-25,29,32-33,35-36,48H,15,17-20H2,1-9H3,(H,44,46)(H,45,51)/t2*22?,23-,24?,25+,26+,30-,33?,34-,36-,37?,41+,42-;3*21?,22-,23?,24+,25+,29-,32?,33-,35-,36?,40+,41-/m11111/s1
InChIKeyJUAPDAGXXQNOEQ-YUMRGUOPSA-N
XLogP26.60
TPSA910.89 Ų
H-Bond Donors15
H-Bond Acceptors58
Rotatable Bonds40
Heavy Atoms280
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003959.69
LogP ≤ 526.60
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1058

Analyze N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[5-(furan-2-yl)-3-pyridinyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-thiophen-2-yl-3-pyridinyl)acetamide with MolForge

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What is the IUPAC name of N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[5-(furan-2-yl)-3-pyridinyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-thiophen-2-yl-3-pyridinyl)acetamide?
The IUPAC name of N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[5-(furan-2-yl)-3-pyridinyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-thiophen-2-yl-3-pyridinyl)acetamide (CID 159023774) is N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[5-(furan-2-yl)-3-pyridinyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-thiophen-2-yl-3-pyridinyl)acetamide.
What is the SMILES notation for N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[5-(furan-2-yl)-3-pyridinyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-thiophen-2-yl-3-pyridinyl)acetamide?
The canonical SMILES for N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[5-(furan-2-yl)-3-pyridinyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-thiophen-2-yl-3-pyridinyl)acetamide is CC1CC(C)C(O)C(O[C@@H]2[C@@H](C)C(=O)[C@](C)(F)C(=O)O[C@H](CCNC(=O)Cc3ccc(-c4ccccn4)s3)[C@@]3(C)OC(=O)N[C@@H]3[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1.CC1CC(C)C(O)C(O[C@@H]2[C@@H](C)C(=O)[C@](C)(F)C(=O)O[C@H](CCNC(=O)Cc3cccc(-c4ccco4)c3)[C@@]3(C)OC(=O)N[C@@H]3[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1.CC1CC(C)C(O)C(O[C@@H]2[C@@H](C)C(=O)[C@](C)(F)C(=O)O[C@H](CCNC(=O)Cc3ccccc3-c3ccco3)[C@@]3(C)OC(=O)N[C@@H]3[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1.CC1CC(C)C(O)C(O[C@@H]2[C@@H](C)C(=O)[C@](C)(F)C(=O)O[C@H](CCNC(=O)Cc3cncc(-c4ccco4)c3)[C@@]3(C)OC(=O)N[C@@H]3[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1.CC1CC(C)C(O)C(O[C@@H]2[C@@H](C)C(=O)[C@](C)(F)C(=O)O[C@H](CCNC(=O)Cc3cncc(-c4cccs4)c3)[C@@]3(C)OC(=O)N[C@@H]3[C@@H](C)C(=O)[C@H](C)CC2(C)C)O1.
What is the InChIKey of N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[5-(furan-2-yl)-3-pyridinyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-thiophen-2-yl-3-pyridinyl)acetamide?
The InChIKey is JUAPDAGXXQNOEQ-YUMRGUOPSA-N. The full InChI is InChI=1S/2C42H57FN2O11.C41H56FN3O11.2C41H56FN3O10S/c1-22-18-24(3)53-37(33(22)48)55-36-26(5)35(49)41(8,43)38(50)54-30(15-16-44-31(46)20-27-12-10-13-28(19-27)29-14-11-17-52-29)42(9)34(45-39(51)56-42)25(4)32(47)23(2)21-40(36,6)7;1-22-19-24(3)53-37(33(22)48)55-36-26(5)35(49)41(8,43)38(50)54-30(16-17-44-31(46)20-27-13-10-11-14-28(27)29-15-12-18-52-29)42(9)34(45-39(51)56-42)25(4)32(47)23(2)21-40(36,6)7;1-21-15-23(3)53-36(32(21)48)55-35-25(5)34(49)40(8,42)37(50)54-29(12-13-44-30(46)17-26-16-27(20-43-19-26)28-11-10-14-52-28)41(9)33(45-38(51)56-41)24(4)31(47)22(2)18-39(35,6)7;1-21-15-23(3)52-36(32(21)48)54-35-25(5)34(49)40(8,42)37(50)53-29(12-13-44-30(46)17-26-16-27(20-43-19-26)28-11-10-14-56-28)41(9)33(45-38(51)55-41)24(4)31(47)22(2)18-39(35,6)7;1-21-18-23(3)52-36(32(21)48)54-35-25(5)34(49)40(8,42)37(50)53-29(15-17-44-30(46)19-26-13-14-28(56-26)27-12-10-11-16-43-27)41(9)33(45-38(51)55-41)24(4)31(47)22(2)20-39(35,6)7/h10-14,17,19,22-26,30,33-34,36-37,48H,15-16,18,20-21H2,1-9H3,(H,44,46)(H,45,51);10-15,18,22-26,30,33-34,36-37,48H,16-17,19-21H2,1-9H3,(H,44,46)(H,45,51);2*10-11,14,16,19-25,29,32-33,35-36,48H,12-13,15,17-18H2,1-9H3,(H,44,46)(H,45,51);10-14,16,21-25,29,32-33,35-36,48H,15,17-20H2,1-9H3,(H,44,46)(H,45,51)/t2*22?,23-,24?,25+,26+,30-,33?,34-,36-,37?,41+,42-;3*21?,22-,23?,24+,25+,29-,32?,33-,35-,36?,40+,41-/m11111/s1.
What are the key properties of N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[5-(furan-2-yl)-3-pyridinyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-thiophen-2-yl-3-pyridinyl)acetamide?
N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[5-(furan-2-yl)-3-pyridinyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-thiophen-2-yl-3-pyridinyl)acetamide has a molecular weight of 3959.69 g/mol, XLogP of 26.60, 40 rotatable bonds, 15 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-[5-(furan-2-yl)-3-pyridinyl]acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide;N-[2-[(1S,2R,5S,7R,8R,11R,13R,14R)-5-fluoro-8-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,9,11,13-heptamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-2-yl]ethyl]-2-(5-thiophen-2-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 159023774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).