(3S)-3-[[(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(4R,7S)-7-[4-[1-(dimethylamino)propan-2-yl]-2-oxo-1-pyridinyl]-4-[2-(2,6-dimethylphenyl)-4-pyridinyl]-9-methyldecane-2,6-dione;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-3-methoxy-2-(2-methyl-6-oxo-1,3-dihydropyrrolo[3,4-c]pyridin-5-yl)propanoyl]amino]propanoic acid;(3S)-3-[[(2S)-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanoyl]amino]propanoic acid

C246H304F5N31O34 — CID 158190955

IUPAC(3S)-3-[[(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(4R,7S)-7-[4-[1-(dimethylamino)propan-2-yl]-2-oxo-1-pyridinyl]-4-[2-(2,6-dimethylphenyl)-4-pyridinyl]-9-methyldecane-2,6-dione;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-3-methoxy-2-(2-methyl-6-oxo-1,3-dihydropyrrolo[3,4-c]pyridin-5-yl)propanoyl]amino]propanoic acid;(3S)-3-[[(2S)-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanoyl]amino]propanoic acid
SMILESCC(=O)C[C@H](CC(=O)C(CC(C)C)n1ccc(C(C)CN(C)C)cc1=O)c1ccnc(-c2c(C)cccc2C)c1.CCC(C(=O)N[C@@H](CC(=O)O)c1cncc(-c2c(C)cccc2C)c1)n1cc(CCN(C)CCOC)ccc1=O.CNCCc1ccc(=O)n([C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)c2cncc(-c3c(C)cccc3F)c2)c1.COC[C@@H](C(=O)N[C@@H](CC(=O)O)c1cncc(-c2c(C)cccc2C)c1)n1cc2c(cc1=O)CN(C)C2.COc1cc(C)c(-c2cncc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)n3c(CN(C)C)cccc3=O)c2)c(C)c1.Cc1cccc(F)c1-c1cncc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)n2cc(CCN3CC(F)C3)ccc2=O)c1.Cc1ccccc1-c1cccc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)n2cc(CCN3CCC(F)(F)C3)ccc2=O)c1.Cc1ccnc(C)c1-c1cncc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)n2c(CN(C)C)cccc2=O)c1
InChIInChI=1S/C34H45N3O3.C33H39F2N3O4.C31H36F2N4O4.2C31H40N4O5.C29H35FN4O4.C29H37N5O4.C28H32N4O5/c1-22(2)16-31(37-15-13-27(20-33(37)40)25(5)21-36(7)8)32(39)19-29(17-26(6)38)28-12-14-35-30(18-28)34-23(3)10-9-11-24(34)4;1-22(2)17-29(38-20-24(11-12-30(38)39)13-15-37-16-14-33(34,35)21-37)32(42)36-28(19-31(40)41)26-9-6-8-25(18-26)27-10-5-4-7-23(27)3;1-19(2)11-27(37-16-21(7-8-28(37)38)9-10-36-17-24(32)18-36)31(41)35-26(13-29(39)40)22-12-23(15-34-14-22)30-20(3)5-4-6-25(30)33;1-19(2)11-27(35-24(18-34(5)6)9-8-10-28(35)36)31(39)33-26(15-29(37)38)22-14-23(17-32-16-22)30-20(3)12-25(40-7)13-21(30)4;1-6-27(35-20-23(10-11-28(35)36)12-13-34(4)14-15-40-5)31(39)33-26(17-29(37)38)24-16-25(19-32-18-24)30-21(2)8-7-9-22(30)3;1-18(2)12-25(34-17-20(10-11-31-4)8-9-26(34)35)29(38)33-24(14-27(36)37)21-13-22(16-32-15-21)28-19(3)6-5-7-23(28)30;1-18(2)12-25(34-23(17-33(5)6)8-7-9-26(34)35)29(38)32-24(14-27(36)37)21-13-22(16-30-15-21)28-19(3)10-11-31-20(28)4;1-17-6-5-7-18(2)27(17)20-8-19(11-29-12-20)23(10-26(34)35)30-28(36)24(16-37-4)32-15-22-14-31(3)13-21(22)9-25(32)33/h9-15,18,20,22,25,29,31H,16-17,19,21H2,1-8H3;4-12,18,20,22,28-29H,13-17,19,21H2,1-3H3,(H,36,42)(H,40,41);4-8,12,14-16,19,24,26-27H,9-11,13,17-18H2,1-3H3,(H,35,41)(H,39,40);8-10,12-14,16-17,19,26-27H,11,15,18H2,1-7H3,(H,33,39)(H,37,38);7-11,16,18-20,26-27H,6,12-15,17H2,1-5H3,(H,33,39)(H,37,38);5-9,13,15-18,24-25,31H,10-12,14H2,1-4H3,(H,33,38)(H,36,37);7-11,13,15-16,18,24-25H,12,14,17H2,1-6H3,(H,32,38)(H,36,37);5-9,11-12,15,23-24H,10,13-14,16H2,1-4H3,(H,30,36)(H,34,35)/t25?,29-,31?;28-,29-;2*26-,27-;26-,27?;2*24-,25-;23-,24-/m10000000/s1
InChIKeyFZTABWSXNDWIAH-IBRGHPKASA-N
MW4334.31 g/mol
LogP35.98
Rot. Bonds95

About (3S)-3-[[(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(4R,7S)-7-[4-[1-(dimethylamino)propan-2-yl]-2-oxo-1-pyridinyl]-4-[2-(2,6-dimethylphenyl)-4-pyridinyl]-9-methyldecane-2,6-dione;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-3-methoxy-2-(2-methyl-6-oxo-1,3-dihydropyrrolo[3,4-c]pyridin-5-yl)propanoyl]amino]propanoic acid;(3S)-3-[[(2S)-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanoyl]amino]propanoic acid

(3S)-3-[[(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(4R,7S)-7-[4-[1-(dimethylamino)propan-2-yl]-2-oxo-1-pyridinyl]-4-[2-(2,6-dimethylphenyl)-4-pyridinyl]-9-methyldecane-2,6-dione;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-3-methoxy-2-(2-methyl-6-oxo-1,3-dihydropyrrolo[3,4-c]pyridin-5-yl)propanoyl]amino]propanoic acid;(3S)-3-[[(2S)-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanoyl]amino]propanoic acid (PubChem CID 158190955) has the molecular formula C246H304F5N31O34 and a molecular weight of 4334.31 g/mol. Its IUPAC name is (3S)-3-[[(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(4R,7S)-7-[4-[1-(dimethylamino)propan-2-yl]-2-oxo-1-pyridinyl]-4-[2-(2,6-dimethylphenyl)-4-pyridinyl]-9-methyldecane-2,6-dione;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-3-methoxy-2-(2-methyl-6-oxo-1,3-dihydropyrrolo[3,4-c]pyridin-5-yl)propanoyl]amino]propanoic acid;(3S)-3-[[(2S)-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(3S)-3-[[(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(4R,7S)-7-[4-[1-(dimethylamino)propan-2-yl]-2-oxo-1-pyridinyl]-4-[2-(2,6-dimethylphenyl)-4-pyridinyl]-9-methyldecane-2,6-dione;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-3-methoxy-2-(2-methyl-6-oxo-1,3-dihydropyrrolo[3,4-c]pyridin-5-yl)propanoyl]amino]propanoic acid;(3S)-3-[[(2S)-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanoyl]amino]propanoic acid
PubChem CID158190955
Molecular FormulaC246H304F5N31O34
Molecular Weight4334.31 g/mol
Exact Mass4331.29
IUPAC Name(3S)-3-[[(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(4R,7S)-7-[4-[1-(dimethylamino)propan-2-yl]-2-oxo-1-pyridinyl]-4-[2-(2,6-dimethylphenyl)-4-pyridinyl]-9-methyldecane-2,6-dione;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-3-methoxy-2-(2-methyl-6-oxo-1,3-dihydropyrrolo[3,4-c]pyridin-5-yl)propanoyl]amino]propanoic acid;(3S)-3-[[(2S)-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanoyl]amino]propanoic acid
SMILESCC(=O)C[C@H](CC(=O)C(CC(C)C)n1ccc(C(C)CN(C)C)cc1=O)c1ccnc(-c2c(C)cccc2C)c1.CCC(C(=O)N[C@@H](CC(=O)O)c1cncc(-c2c(C)cccc2C)c1)n1cc(CCN(C)CCOC)ccc1=O.CNCCc1ccc(=O)n([C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)c2cncc(-c3c(C)cccc3F)c2)c1.COC[C@@H](C(=O)N[C@@H](CC(=O)O)c1cncc(-c2c(C)cccc2C)c1)n1cc2c(cc1=O)CN(C)C2.COc1cc(C)c(-c2cncc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)n3c(CN(C)C)cccc3=O)c2)c(C)c1.Cc1cccc(F)c1-c1cncc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)n2cc(CCN3CC(F)C3)ccc2=O)c1.Cc1ccccc1-c1cccc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)n2cc(CCN3CCC(F)(F)C3)ccc2=O)c1.Cc1ccnc(C)c1-c1cncc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)n2c(CN(C)C)cccc2=O)c1
InChIInChI=1S/C34H45N3O3.C33H39F2N3O4.C31H36F2N4O4.2C31H40N4O5.C29H35FN4O4.C29H37N5O4.C28H32N4O5/c1-22(2)16-31(37-15-13-27(20-33(37)40)25(5)21-36(7)8)32(39)19-29(17-26(6)38)28-12-14-35-30(18-28)34-23(3)10-9-11-24(34)4;1-22(2)17-29(38-20-24(11-12-30(38)39)13-15-37-16-14-33(34,35)21-37)32(42)36-28(19-31(40)41)26-9-6-8-25(18-26)27-10-5-4-7-23(27)3;1-19(2)11-27(37-16-21(7-8-28(37)38)9-10-36-17-24(32)18-36)31(41)35-26(13-29(39)40)22-12-23(15-34-14-22)30-20(3)5-4-6-25(30)33;1-19(2)11-27(35-24(18-34(5)6)9-8-10-28(35)36)31(39)33-26(15-29(37)38)22-14-23(17-32-16-22)30-20(3)12-25(40-7)13-21(30)4;1-6-27(35-20-23(10-11-28(35)36)12-13-34(4)14-15-40-5)31(39)33-26(17-29(37)38)24-16-25(19-32-18-24)30-21(2)8-7-9-22(30)3;1-18(2)12-25(34-17-20(10-11-31-4)8-9-26(34)35)29(38)33-24(14-27(36)37)21-13-22(16-32-15-21)28-19(3)6-5-7-23(28)30;1-18(2)12-25(34-23(17-33(5)6)8-7-9-26(34)35)29(38)32-24(14-27(36)37)21-13-22(16-30-15-21)28-19(3)10-11-31-20(28)4;1-17-6-5-7-18(2)27(17)20-8-19(11-29-12-20)23(10-26(34)35)30-28(36)24(16-37-4)32-15-22-14-31(3)13-21(22)9-25(32)33/h9-15,18,20,22,25,29,31H,16-17,19,21H2,1-8H3;4-12,18,20,22,28-29H,13-17,19,21H2,1-3H3,(H,36,42)(H,40,41);4-8,12,14-16,19,24,26-27H,9-11,13,17-18H2,1-3H3,(H,35,41)(H,39,40);8-10,12-14,16-17,19,26-27H,11,15,18H2,1-7H3,(H,33,39)(H,37,38);7-11,16,18-20,26-27H,6,12-15,17H2,1-5H3,(H,33,39)(H,37,38);5-9,13,15-18,24-25,31H,10-12,14H2,1-4H3,(H,33,38)(H,36,37);7-11,13,15-16,18,24-25H,12,14,17H2,1-6H3,(H,32,38)(H,36,37);5-9,11-12,15,23-24H,10,13-14,16H2,1-4H3,(H,30,36)(H,34,35)/t25?,29-,31?;28-,29-;2*26-,27-;26-,27?;2*24-,25-;23-,24-/m10000000/s1
InChIKeyFZTABWSXNDWIAH-IBRGHPKASA-N
XLogP35.98
TPSA840.46 Ų
H-Bond Donors15
H-Bond Acceptors51
Rotatable Bonds95
Heavy Atoms316
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004334.31
LogP ≤ 535.98
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1051

Analyze (3S)-3-[[(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(4R,7S)-7-[4-[1-(dimethylamino)propan-2-yl]-2-oxo-1-pyridinyl]-4-[2-(2,6-dimethylphenyl)-4-pyridinyl]-9-methyldecane-2,6-dione;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-3-methoxy-2-(2-methyl-6-oxo-1,3-dihydropyrrolo[3,4-c]pyridin-5-yl)propanoyl]amino]propanoic acid;(3S)-3-[[(2S)-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanoyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(4R,7S)-7-[4-[1-(dimethylamino)propan-2-yl]-2-oxo-1-pyridinyl]-4-[2-(2,6-dimethylphenyl)-4-pyridinyl]-9-methyldecane-2,6-dione;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-3-methoxy-2-(2-methyl-6-oxo-1,3-dihydropyrrolo[3,4-c]pyridin-5-yl)propanoyl]amino]propanoic acid;(3S)-3-[[(2S)-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanoyl]amino]propanoic acid?
The IUPAC name of (3S)-3-[[(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(4R,7S)-7-[4-[1-(dimethylamino)propan-2-yl]-2-oxo-1-pyridinyl]-4-[2-(2,6-dimethylphenyl)-4-pyridinyl]-9-methyldecane-2,6-dione;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-3-methoxy-2-(2-methyl-6-oxo-1,3-dihydropyrrolo[3,4-c]pyridin-5-yl)propanoyl]amino]propanoic acid;(3S)-3-[[(2S)-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanoyl]amino]propanoic acid (CID 158190955) is (3S)-3-[[(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(4R,7S)-7-[4-[1-(dimethylamino)propan-2-yl]-2-oxo-1-pyridinyl]-4-[2-(2,6-dimethylphenyl)-4-pyridinyl]-9-methyldecane-2,6-dione;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-3-methoxy-2-(2-methyl-6-oxo-1,3-dihydropyrrolo[3,4-c]pyridin-5-yl)propanoyl]amino]propanoic acid;(3S)-3-[[(2S)-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanoyl]amino]propanoic acid.
What is the SMILES notation for (3S)-3-[[(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(4R,7S)-7-[4-[1-(dimethylamino)propan-2-yl]-2-oxo-1-pyridinyl]-4-[2-(2,6-dimethylphenyl)-4-pyridinyl]-9-methyldecane-2,6-dione;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-3-methoxy-2-(2-methyl-6-oxo-1,3-dihydropyrrolo[3,4-c]pyridin-5-yl)propanoyl]amino]propanoic acid;(3S)-3-[[(2S)-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanoyl]amino]propanoic acid?
The canonical SMILES for (3S)-3-[[(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(4R,7S)-7-[4-[1-(dimethylamino)propan-2-yl]-2-oxo-1-pyridinyl]-4-[2-(2,6-dimethylphenyl)-4-pyridinyl]-9-methyldecane-2,6-dione;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-3-methoxy-2-(2-methyl-6-oxo-1,3-dihydropyrrolo[3,4-c]pyridin-5-yl)propanoyl]amino]propanoic acid;(3S)-3-[[(2S)-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanoyl]amino]propanoic acid is CC(=O)C[C@H](CC(=O)C(CC(C)C)n1ccc(C(C)CN(C)C)cc1=O)c1ccnc(-c2c(C)cccc2C)c1.CCC(C(=O)N[C@@H](CC(=O)O)c1cncc(-c2c(C)cccc2C)c1)n1cc(CCN(C)CCOC)ccc1=O.CNCCc1ccc(=O)n([C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)c2cncc(-c3c(C)cccc3F)c2)c1.COC[C@@H](C(=O)N[C@@H](CC(=O)O)c1cncc(-c2c(C)cccc2C)c1)n1cc2c(cc1=O)CN(C)C2.COc1cc(C)c(-c2cncc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)n3c(CN(C)C)cccc3=O)c2)c(C)c1.Cc1cccc(F)c1-c1cncc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)n2cc(CCN3CC(F)C3)ccc2=O)c1.Cc1ccccc1-c1cccc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)n2cc(CCN3CCC(F)(F)C3)ccc2=O)c1.Cc1ccnc(C)c1-c1cncc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)n2c(CN(C)C)cccc2=O)c1.
What is the InChIKey of (3S)-3-[[(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(4R,7S)-7-[4-[1-(dimethylamino)propan-2-yl]-2-oxo-1-pyridinyl]-4-[2-(2,6-dimethylphenyl)-4-pyridinyl]-9-methyldecane-2,6-dione;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-3-methoxy-2-(2-methyl-6-oxo-1,3-dihydropyrrolo[3,4-c]pyridin-5-yl)propanoyl]amino]propanoic acid;(3S)-3-[[(2S)-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanoyl]amino]propanoic acid?
The InChIKey is FZTABWSXNDWIAH-IBRGHPKASA-N. The full InChI is InChI=1S/C34H45N3O3.C33H39F2N3O4.C31H36F2N4O4.2C31H40N4O5.C29H35FN4O4.C29H37N5O4.C28H32N4O5/c1-22(2)16-31(37-15-13-27(20-33(37)40)25(5)21-36(7)8)32(39)19-29(17-26(6)38)28-12-14-35-30(18-28)34-23(3)10-9-11-24(34)4;1-22(2)17-29(38-20-24(11-12-30(38)39)13-15-37-16-14-33(34,35)21-37)32(42)36-28(19-31(40)41)26-9-6-8-25(18-26)27-10-5-4-7-23(27)3;1-19(2)11-27(37-16-21(7-8-28(37)38)9-10-36-17-24(32)18-36)31(41)35-26(13-29(39)40)22-12-23(15-34-14-22)30-20(3)5-4-6-25(30)33;1-19(2)11-27(35-24(18-34(5)6)9-8-10-28(35)36)31(39)33-26(15-29(37)38)22-14-23(17-32-16-22)30-20(3)12-25(40-7)13-21(30)4;1-6-27(35-20-23(10-11-28(35)36)12-13-34(4)14-15-40-5)31(39)33-26(17-29(37)38)24-16-25(19-32-18-24)30-21(2)8-7-9-22(30)3;1-18(2)12-25(34-17-20(10-11-31-4)8-9-26(34)35)29(38)33-24(14-27(36)37)21-13-22(16-32-15-21)28-19(3)6-5-7-23(28)30;1-18(2)12-25(34-23(17-33(5)6)8-7-9-26(34)35)29(38)32-24(14-27(36)37)21-13-22(16-30-15-21)28-19(3)10-11-31-20(28)4;1-17-6-5-7-18(2)27(17)20-8-19(11-29-12-20)23(10-26(34)35)30-28(36)24(16-37-4)32-15-22-14-31(3)13-21(22)9-25(32)33/h9-15,18,20,22,25,29,31H,16-17,19,21H2,1-8H3;4-12,18,20,22,28-29H,13-17,19,21H2,1-3H3,(H,36,42)(H,40,41);4-8,12,14-16,19,24,26-27H,9-11,13,17-18H2,1-3H3,(H,35,41)(H,39,40);8-10,12-14,16-17,19,26-27H,11,15,18H2,1-7H3,(H,33,39)(H,37,38);7-11,16,18-20,26-27H,6,12-15,17H2,1-5H3,(H,33,39)(H,37,38);5-9,13,15-18,24-25,31H,10-12,14H2,1-4H3,(H,33,38)(H,36,37);7-11,13,15-16,18,24-25H,12,14,17H2,1-6H3,(H,32,38)(H,36,37);5-9,11-12,15,23-24H,10,13-14,16H2,1-4H3,(H,30,36)(H,34,35)/t25?,29-,31?;28-,29-;2*26-,27-;26-,27?;2*24-,25-;23-,24-/m10000000/s1.
What are the key properties of (3S)-3-[[(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(4R,7S)-7-[4-[1-(dimethylamino)propan-2-yl]-2-oxo-1-pyridinyl]-4-[2-(2,6-dimethylphenyl)-4-pyridinyl]-9-methyldecane-2,6-dione;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-3-methoxy-2-(2-methyl-6-oxo-1,3-dihydropyrrolo[3,4-c]pyridin-5-yl)propanoyl]amino]propanoic acid;(3S)-3-[[(2S)-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanoyl]amino]propanoic acid?
(3S)-3-[[(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(4R,7S)-7-[4-[1-(dimethylamino)propan-2-yl]-2-oxo-1-pyridinyl]-4-[2-(2,6-dimethylphenyl)-4-pyridinyl]-9-methyldecane-2,6-dione;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-3-methoxy-2-(2-methyl-6-oxo-1,3-dihydropyrrolo[3,4-c]pyridin-5-yl)propanoyl]amino]propanoic acid;(3S)-3-[[(2S)-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanoyl]amino]propanoic acid has a molecular weight of 4334.31 g/mol, XLogP of 35.98, 95 rotatable bonds, 15 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(4R,7S)-7-[4-[1-(dimethylamino)propan-2-yl]-2-oxo-1-pyridinyl]-4-[2-(2,6-dimethylphenyl)-4-pyridinyl]-9-methyldecane-2,6-dione;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-3-methoxy-2-(2-methyl-6-oxo-1,3-dihydropyrrolo[3,4-c]pyridin-5-yl)propanoyl]amino]propanoic acid;(3S)-3-[[(2S)-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanoyl]amino]propanoic acid is sourced from PubChem (CID 158190955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).