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FY3
FY3
表記:2,3,5-trifluoro-L-tyrosine
組成式:C9 H8 F3 N O3
SMILES:NC(C(=O)O)Cc1cc(F)c(c(c1F)F)O
InChi:InChI=1S/C9H8F3NO3/c10-4-1-3(2-5(13)9(15)16)6(11)7(12)8(4)14/h1,5,14H,2,13H2,(H,15,16)/t5-/m0/s1
定義日:2015-07-13
最終更新日:2023-11-03
公開日:2016-07-13
識別子（ID）:2,3,5-trifluoro-L-tyrosine
81R
81R
表記:(4R)-4,5-disulfanyl-L-norvaline
組成式:C5 H11 N O2 S2
SMILES:O=C(O)C(N)CC(S)CS
InChi:InChI=1S/C5H11NO2S2/c6-4(5(7)8)1-3(10)2-9/h3-4,9-10H,1-2,6H2,(H,7,8)/t3-,4+/m1/s1
定義日:2014-02-19
最終更新日:2023-11-03
公開日:2014-09-24
識別子（ID）:(4R)-4,5-disulfanyl-L-norvaline
81S
81S
表記:(4S)-4,5-disulfanyl-L-norvaline
組成式:C5 H11 N O2 S2
SMILES:O=C(O)C(N)CC(S)CS
InChi:InChI=1S/C5H11NO2S2/c6-4(5(7)8)1-3(10)2-9/h3-4,9-10H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1
定義日:2014-02-19
最終更新日:2023-11-03
公開日:2014-09-24
識別子（ID）:(4S)-4,5-disulfanyl-L-norvaline
823
823
表記:N,N-bis(3-sulfanylpropyl)-L-asparagine
組成式:C10 H20 N2 O3 S2
SMILES:O=C(O)C(N)CC(=O)N(CCCS)CCCS
InChi:InChI=1S/C10H20N2O3S2/c11-8(10(14)15)7-9(13)12(3-1-5-16)4-2-6-17/h8,16-17H,1-7,11H2,(H,14,15)/t8-/m0/s1
定義日:2014-02-19
最終更新日:2023-11-03
公開日:2014-09-24
識別子（ID）:N,N-bis(3-sulfanylpropyl)-L-asparagine
KJO
KJO
表記:N-phenyl-2-(pyridin-3-yl)prop-2-enamide
組成式:C14 H12 N2 O
SMILES:O=C(Nc1ccccc1)C(=C)c1cccnc1
InChi:InChI=1S/C14H12N2O/c1-11(12-6-5-9-15-10-12)14(17)16-13-7-3-2-4-8-13/h2-10H,1H2,(H,16,17)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-phenyl-2-(pyridin-3-yl)prop-2-enamide
85G
85G
表記:N-ethyl-L-glutamine
組成式:C7 H14 N2 O3
SMILES:NC(C(O)=O)CCC(NCC)=O
InChi:InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
定義日:2017-01-05
最終更新日:2023-11-03
公開日:2017-05-24
識別子（ID）:N-ethyl-L-glutamine
85J
85J
表記:N-propyl-L-glutamine
組成式:C8 H16 N2 O3
SMILES:NC(CCC(NCCC)=O)C(O)=O
InChi:InChI=1S/C8H16N2O3/c1-2-5-10-7(11)4-3-6(9)8(12)13/h6H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t6-/m0/s1
定義日:2017-01-05
最終更新日:2023-11-03
公開日:2017-05-24
識別子（ID）:N-propyl-L-glutamine
KL6
KL6
表記:1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide
組成式:C12 H19 N3 O4 S2
SMILES:NS(=O)(=O)c1ccc2CCCN(CCNS(C)(=O)=O)c2c1
InChi:InChI=1S/C12H19N3O4S2/c1-20(16,17)14-6-8-15-7-2-3-10-4-5-11(9-12(10)15)21(13,18)19/h4-5,9,14H,2-3,6-8H2,1H3,(H2,13,18,19)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide
KLR
KLR
表記:(2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide
組成式:C20 H24 N4 O
SMILES:CC(C)(C)NC(=O)C(Nc1ccc(CCC#N)cc1)c1cccnc1
InChi:InChI=1S/C20H24N4O/c1-20(2,3)24-19(25)18(16-7-5-13-22-14-16)23-17-10-8-15(9-11-17)6-4-12-21/h5,7-11,13-14,18,23H,4,6H2,1-3H3,(H,24,25)/t18-/m0/s1
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide
KNU
KNU
表記:N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide
組成式:C10 H11 Cl F N O
SMILES:Fc1cc(cc(Cl)c1)C(C)NC(C)=O
InChi:InChI=1S/C10H11ClFNO/c1-6(13-7(2)14)8-3-9(11)5-10(12)4-8/h3-6H,1-2H3,(H,13,14)/t6-/m0/s1
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide
KO9
KO9
表記:N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide
組成式:C13 H10 N4 O
SMILES:O=C(Nc1cc(cnc1)C#N)Cc1cccnc1
InChi:InChI=1S/C13H10N4O/c14-6-11-4-12(9-16-8-11)17-13(18)5-10-2-1-3-15-7-10/h1-4,7-9H,5H2,(H,17,18)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide
KOI
KOI
表記:2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide
組成式:C13 H11 Cl N2 O
SMILES:O=C(Nc1cccnc1)Cc1cccc(Cl)c1
InChi:InChI=1S/C13H11ClN2O/c14-11-4-1-3-10(7-11)8-13(17)16-12-5-2-6-15-9-12/h1-7,9H,8H2,(H,16,17)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide
KP0
KP0
表記:N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea
組成式:C20 H24 Cl N3 O
SMILES:O=C(Nc1cccnc1)N(CCC1CCCCC1)c1cccc(Cl)c1
InChi:InChI=1S/C20H24ClN3O/c21-17-8-4-10-19(14-17)24(13-11-16-6-2-1-3-7-16)20(25)23-18-9-5-12-22-15-18/h4-5,8-10,12,14-16H,1-3,6-7,11,13H2,(H,23,25)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea
KPN
KPN
表記:N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine
組成式:C16 H18 N4 O3
SMILES:O=C(O)CN(C(=O)Cc2cnc(c1ncccc1)cc2)CCN
InChi:InChI=1S/C16H18N4O3/c17-6-8-20(11-16(22)23)15(21)9-12-4-5-14(19-10-12)13-3-1-2-7-18-13/h1-5,7,10H,6,8-9,11,17H2,(H,22,23)
定義日:2010-04-20
最終更新日:2023-11-03
識別子（ID）:N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine
KQ3
KQ3
表記:N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea
組成式:C18 H21 Cl N4 O2
SMILES:Clc1cccc(c1)N(CCN1CCOCC1)C(=O)Nc1cccnc1
InChi:InChI=1S/C18H21ClN4O2/c19-15-3-1-5-17(13-15)23(8-7-22-9-11-25-12-10-22)18(24)21-16-4-2-6-20-14-16/h1-6,13-14H,7-12H2,(H,21,24)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea
KQ9
KQ9
表記:1-[(dimethylamino)methyl]cyclobutan-1-amine
組成式:C7 H16 N2
SMILES:CN(C)CC1(N)CCC1
InChi:InChI=1S/C7H16N2/c1-9(2)6-7(8)4-3-5-7/h3-6,8H2,1-2H3
定義日:2022-06-01
最終更新日:2023-11-03
公開日:2022-12-07
識別子（ID）:1-[(dimethylamino)methyl]cyclobutan-1-amine
KQL
KQL
表記:N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
組成式:C15 H13 F3 N2 O
SMILES:O=C(Nc1cnccc1C)Cc1cccc(c1)C(F)(F)F
InChi:InChI=1S/C15H13F3N2O/c1-10-5-6-19-9-13(10)20-14(21)8-11-3-2-4-12(7-11)15(16,17)18/h2-7,9H,8H2,1H3,(H,20,21)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
KQX
KQX
表記:2-(4-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide
組成式:C15 H16 N2 O
SMILES:O=C(Nc1cnccc1C)Cc1ccc(C)cc1
InChi:InChI=1S/C15H16N2O/c1-11-3-5-13(6-4-11)9-15(18)17-14-10-16-8-7-12(14)2/h3-8,10H,9H2,1-2H3,(H,17,18)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(4-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide
KS0
KS0
表記:1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one
組成式:C14 H19 F N2 O
SMILES:CCC(=O)N1CCN(Cc2ccc(F)cc2)CC1
InChi:InChI=1S/C14H19FN2O/c1-2-14(18)17-9-7-16(8-10-17)11-12-3-5-13(15)6-4-12/h3-6H,2,7-11H2,1H3
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one
KSX
KSX
表記:2-(5-cyanopyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide
組成式:C14 H12 N4 O
SMILES:O=C(Nc1cnccc1C)Cc1cc(C#N)cnc1
InChi:InChI=1S/C14H12N4O/c1-10-2-3-16-9-13(10)18-14(19)5-11-4-12(6-15)8-17-7-11/h2-4,7-9H,5H2,1H3,(H,18,19)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(5-cyanopyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide
KT9
KT9
表記:N-(3-methyl-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
組成式:C16 H16 N4 O3
SMILES:Cc1cc(cc(OC2CC(=O)N2)c1)NC(=O)Cc1cncnc1
InChi:InChI=1S/C16H16N4O3/c1-10-2-12(5-13(3-10)23-16-6-15(22)20-16)19-14(21)4-11-7-17-9-18-8-11/h2-3,5,7-9,16H,4,6H2,1H3,(H,19,21)(H,20,22)/t16-/m0/s1
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(3-methyl-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
KU6
KU6
表記:(4R)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C15 H15 Cl N4 O2
SMILES:Clc1ccc2OCCC(c2c1)C(=O)Nc1nncn1C1CC1
InChi:InChI=1S/C15H15ClN4O2/c16-9-1-4-13-12(7-9)11(5-6-22-13)14(21)18-15-19-17-8-20(15)10-2-3-10/h1,4,7-8,10-11H,2-3,5-6H2,(H,18,19,21)/t11-/m1/s1
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4R)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
KUU
KUU
表記:(2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide
組成式:C17 H19 Cl N2 O
SMILES:O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)C(C)C
InChi:InChI=1S/C17H19ClN2O/c1-11(2)16(13-5-4-6-14(18)9-13)17(21)20-15-10-19-8-7-12(15)3/h4-11,16H,1-3H3,(H,20,21)/t16-/m1/s1
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide
1OL
1OL
表記:(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid
組成式:C10 H21 N O3
SMILES:O=C(O)C(C)CC(O)C(N)CC(C)C
InChi:InChI=1S/C10H21NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-9,12H,4-5,11H2,1-3H3,(H,13,14)/t7-,8+,9+/m1/s1
別名:Leu*Ala
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid
1OP
1OP
表記:O-(5-hydroxypentyl)-L-tyrosine
組成式:C14 H21 N O4
SMILES:O=C(O)C(N)Cc1ccc(OCCCCCO)cc1
InChi:InChI=1S/C14H21NO4/c15-13(14(17)18)10-11-4-6-12(7-5-11)19-9-3-1-2-8-16/h4-7,13,16H,1-3,8-10,15H2,(H,17,18)/t13-/m0/s1
定義日:2013-04-11
最終更新日:2023-11-03
公開日:2013-06-12
識別子（ID）:O-(5-hydroxypentyl)-L-tyrosine

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