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L7F
L7F
表記:2-[(1S,5R)-bicyclo[3.1.0]hexan-1-yl]-N-(4-methylpyridin-3-yl)acetamide
組成式:C14 H18 N2 O
SMILES:O=C(Nc1cnccc1C)CC12CC2CCC1
InChi:InChI=1S/C14H18N2O/c1-10-4-6-15-9-12(10)16-13(17)8-14-5-2-3-11(14)7-14/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,16,17)/t11-,14+/m1/s1
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-[(1S,5R)-bicyclo[3.1.0]hexan-1-yl]-N-(4-methylpyridin-3-yl)acetamide
L7Q
L7Q
表記:3-methyl-N-(4-methylpyridin-3-yl)-3-phenylbutanamide
組成式:C17 H20 N2 O
SMILES:O=C(Nc1cnccc1C)CC(C)(C)c1ccccc1
InChi:InChI=1S/C17H20N2O/c1-13-9-10-18-12-15(13)19-16(20)11-17(2,3)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,19,20)
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-methyl-N-(4-methylpyridin-3-yl)-3-phenylbutanamide
4LJ
4LJ
表記:1.7.6 3-bromanylpropan-1-amine
組成式:C3 H8 Br N
SMILES:NCCCBr
InChi:InChI=1S/C3H8BrN/c4-2-1-3-5/h1-3,5H2
定義日:2015-04-10
最終更新日:2023-11-03
公開日:2015-09-16
識別子（ID）:3-bromanylpropan-1-amine
L7V
L7V
表記:1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
組成式:C16 H18 N4 O2
SMILES:O=C(Cc1cccnc1)N1CCCC1c1nc(on1)C1CC1
InChi:InChI=1S/C16H18N4O2/c21-14(9-11-3-1-7-17-10-11)20-8-2-4-13(20)15-18-16(22-19-15)12-5-6-12/h1,3,7,10,12-13H,2,4-6,8-9H2/t13-/m0/s1
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
L83
L83
表記:N-(2-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide
組成式:C14 H14 Cl N3 O
SMILES:Nc1nccc(C)c1NC(=O)Cc1cccc(Cl)c1
InChi:InChI=1S/C14H14ClN3O/c1-9-5-6-17-14(16)13(9)18-12(19)8-10-3-2-4-11(15)7-10/h2-7H,8H2,1H3,(H2,16,17)(H,18,19)
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(2-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide
4LT
4LT
表記:(2R)-2-fluoropropanoic acid
組成式:C3 H5 F O2
SMILES:C(C(C)F)(O)=O
InChi:InChI=1S/C3H5FO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m1/s1
定義日:2015-12-29
最終更新日:2023-11-03
公開日:2016-11-02
識別子（ID）:(2R)-2-fluoropropanoic acid
4LZ
4LZ
表記:O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine
組成式:C11 H15 N4 O3
SMILES:C(C(N)Cc1ccc(OCCN=[N+]=N)cc1)(=O)O
InChi:InChI=1S/C11H14N4O3/c12-10(11(16)17)7-8-1-3-9(4-2-8)18-6-5-14-15-13/h1-4,10,13H,5-7,12H2/p+1/t10-/m0/s1
定義日:2015-04-14
最終更新日:2023-11-03
公開日:2015-05-06
識別子（ID）:O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine
L8F
L8F
表記:N-(2-{7-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-3-yl}ethyl)acetamide
組成式:C19 H26 N4 O2
SMILES:CC(=O)NCCc1c[NH]c2c(CN3CCN(CC3)C(C)=O)cccc21
InChi:InChI=1S/C19H26N4O2/c1-14(24)20-7-6-16-12-21-19-17(4-3-5-18(16)19)13-22-8-10-23(11-9-22)15(2)25/h3-5,12,21H,6-11,13H2,1-2H3,(H,20,24)
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(2-{7-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-3-yl}ethyl)acetamide
L8O
L8O
表記:1-[(4R)-4-(3-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
組成式:C18 H19 N O
SMILES:Cc1cccc(c1)C1CN(Cc2ccccc21)C(C)=O
InChi:InChI=1S/C18H19NO/c1-13-6-5-8-15(10-13)18-12-19(14(2)20)11-16-7-3-4-9-17(16)18/h3-10,18H,11-12H2,1-2H3/t18-/m1/s1
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:1-[(4R)-4-(3-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
4MM
4MM
表記:N,N,N-trimethylmethionine
組成式:C8 H18 N O2 S
SMILES:CSCCC([N+](C)(C)C)C(=O)O
InChi:InChI=1S/C8H17NO2S/c1-9(2,3)7(8(10)11)5-6-12-4/h7H,5-6H2,1-4H3/p+1/t7-/m0/s1
別名:(1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium
定義日:2011-06-04
最終更新日:2023-11-03
識別子（ID）:(1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium
L93
L93
表記:6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
組成式:C20 H19 F N2 O4
SMILES:COc1ccccc1OC(C)CNC(=O)C1=CC(=O)Nc2ccc(F)cc21
InChi:InChI=1S/C20H19FN2O4/c1-12(27-18-6-4-3-5-17(18)26-2)11-22-20(25)15-10-19(24)23-16-8-7-13(21)9-14(15)16/h3-10,12H,11H2,1-2H3,(H,22,25)(H,23,24)/t12-/m1/s1
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
L9F
L9F
表記:(3P,5R)-3-(3-chlorophenyl)-5-(pyridin-3-yl)imidazolidine-2,4-dione
組成式:C14 H10 Cl N3 O2
SMILES:Clc1cccc(c1)N1C(=O)C(NC1=O)c1cccnc1
InChi:InChI=1S/C14H10ClN3O2/c15-10-4-1-5-11(7-10)18-13(19)12(17-14(18)20)9-3-2-6-16-8-9/h1-8,12H,(H,17,20)/t12-/m1/s1
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(3P,5R)-3-(3-chlorophenyl)-5-(pyridin-3-yl)imidazolidine-2,4-dione
L9O
L9O
表記:(1S)-N-(4-methylpyridin-3-yl)spiro[3.3]heptane-1-carboxamide
組成式:C14 H18 N2 O
SMILES:O=C(Nc1cnccc1C)C1CCC21CCC2
InChi:InChI=1S/C14H18N2O/c1-10-4-8-15-9-12(10)16-13(17)11-3-7-14(11)5-2-6-14/h4,8-9,11H,2-3,5-7H2,1H3,(H,16,17)/t11-/m1/s1
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(1S)-N-(4-methylpyridin-3-yl)spiro[3.3]heptane-1-carboxamide
4NT
4NT
表記:[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
組成式:C15 H16 Cl N3 O5
SMILES:NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(Cl)c(cc2)O
InChi:InChI=1S/C15H16ClN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2015-04-21
最終更新日:2023-11-03
公開日:2015-06-10
識別子（ID）:[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
4NU
4NU
表記:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C15 H15 Cl2 N3 O5
SMILES:NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=CC2C=C(Cl)C(C(=C2)Cl)=O
InChi:InChI=1S/C15H15Cl2N3O5/c1-6(21)12(18)14-19-10(15(25)20(14)5-11(22)23)4-7-2-8(16)13(24)9(17)3-7/h2-4,6-7,12,21H,5,18H2,1H3,(H,22,23)/b10-4-/t6-,12+/m1/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2015-04-21
最終更新日:2023-11-03
公開日:2015-06-10
識別子（ID）:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
4OG
4OG
表記:3-(1-benzothiophen-3-yl)-L-alanine
組成式:C11 H11 N O2 S
SMILES:c12scc(c1cccc2)CC(N)C(O)=O
InChi:InChI=1S/C11H11NO2S/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H,13,14)/t9-/m0/s1
定義日:2015-04-28
最終更新日:2023-11-03
公開日:2016-03-02
識別子（ID）:3-(1-benzothiophen-3-yl)-L-alanine
LB0
LB0
表記:(1r,3r)-3-cyclopropyl-N-(4-methylpyridin-3-yl)cyclobutane-1-carboxamide
組成式:C14 H18 N2 O
SMILES:O=C(Nc1cnccc1C)C1CC(C1)C1CC1
InChi:InChI=1S/C14H18N2O/c1-9-4-5-15-8-13(9)16-14(17)12-6-11(7-12)10-2-3-10/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,16,17)/t11-,12-
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(1r,3r)-3-cyclopropyl-N-(4-methylpyridin-3-yl)cyclobutane-1-carboxamide
4OU
4OU
表記:4-(acryloylamino)-L-phenylalanine
組成式:C12 H14 N2 O3
SMILES:c1(ccc(NC([C@H]=C)=O)cc1)CC(C(=O)O)N
InChi:InChI=1S/C12H14N2O3/c1-2-11(15)14-9-5-3-8(4-6-9)7-10(13)12(16)17/h2-6,10H,1,7,13H2,(H,14,15)(H,16,17)/t10-/m0/s1
定義日:2015-04-29
最終更新日:2023-11-03
公開日:2015-05-20
識別子（ID）:4-(acryloylamino)-L-phenylalanine
LBC
LBC
表記:2-(3-iodophenyl)-N-(4-methylpyridin-3-yl)acetamide
組成式:C14 H13 I N2 O
SMILES:O=C(Nc1cnccc1C)Cc1cccc(I)c1
InChi:InChI=1S/C14H13IN2O/c1-10-5-6-16-9-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-7,9H,8H2,1H3,(H,17,18)
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-iodophenyl)-N-(4-methylpyridin-3-yl)acetamide
LBO
LBO
表記:2-(3-cyclopropylphenyl)-N-(4-methylpyridin-3-yl)acetamide
組成式:C17 H18 N2 O
SMILES:O=C(Nc1cnccc1C)Cc1cccc(c1)C1CC1
InChi:InChI=1S/C17H18N2O/c1-12-7-8-18-11-16(12)19-17(20)10-13-3-2-4-15(9-13)14-5-6-14/h2-4,7-9,11,14H,5-6,10H2,1H3,(H,19,20)
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-cyclopropylphenyl)-N-(4-methylpyridin-3-yl)acetamide
4PQ
4PQ
表記:5-hydroxy-L-tryptophan
組成式:C11 H12 N2 O3
SMILES:NC(C(=O)O)Cc1cnc2ccc(cc12)O
InChi:InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
別名:Oxitriptan
定義日:2015-05-01
最終更新日:2023-11-03
公開日:2017-01-11
識別子（ID）:5-hydroxy-L-tryptophan
LBZ
LBZ
表記:(2~{S})-2-azanyl-6-benzamido-hexanoic acid
組成式:C13 H18 N2 O3
SMILES:N[CH](CCCCNC(=O)c1ccccc1)C(O)=O
InChi:InChI=1S/C13H18N2O3/c14-11(13(17)18)8-4-5-9-15-12(16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,14H2,(H,15,16)(H,17,18)/t11-/m0/s1
定義日:2020-01-22
最終更新日:2023-11-03
公開日:2020-11-18
識別子（ID）:(2~{S})-2-azanyl-6-benzamido-hexanoic acid
LCK
LCK
表記:(Z)-N~6~-(2-carboxy-1-methylethylidene)-L-lysine
組成式:C10 H18 N2 O4
SMILES:O=C(O)CC(=N/CCCCC(N)C(=O)O)C
InChi:InChI=1S/C10H18N2O4/c1-7(6-9(13)14)12-5-3-2-4-8(11)10(15)16/h8H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-7-/t8-/m0/s1
定義日:2008-02-15
最終更新日:2023-11-03
識別子（ID）:(Z)-N~6~-(2-carboxy-1-methylethylidene)-L-lysine
4QK
4QK
表記:6-[4-(2-aminoethyl)-1H-1,2,3-triazol-1-yl]-L-norleucine
組成式:C10 H19 N5 O2
SMILES:NC(CCCCn1cc(CCN)nn1)C(O)=O
InChi:InChI=1S/C10H19N5O2/c11-5-4-8-7-15(14-13-8)6-2-1-3-9(12)10(16)17/h7,9H,1-6,11-12H2,(H,16,17)/t9-/m0/s1
定義日:2016-07-19
最終更新日:2023-11-03
公開日:2016-09-21
識別子（ID）:6-[4-(2-aminoethyl)-1H-1,2,3-triazol-1-yl]-L-norleucine
IYR
IYR
表記:3-IODO-TYROSINE
組成式:C9 H10 I N O3
SMILES:Ic1cc(ccc1O)CC(C(=O)O)N
InChi:InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:3-iodo-L-tyrosine

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