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9KK
9KK
表記:N-methyl norleucine
組成式:C7 H15 N O2
SMILES:CCCC[CH](NC)C(O)=O
InChi:InChI=1S/C7H15NO2/c1-3-4-5-6(8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1
定義日:2017-05-30
最終更新日:2023-11-03
公開日:2017-09-20
識別子（ID）:(2~{S})-2-(methylamino)hexanoic acid
9KP
9KP
表記:(E)-N~6~-[(2E)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-L-lysine
組成式:C17 H20 N2 O6
SMILES:C(/C(=O)O)(=NCCCCC(N)C(=O)O)C=Cc1c(C(O)=O)cccc1
InChi:InChI=1S/C17H20N2O6/c18-13(16(22)23)7-3-4-10-19-14(17(24)25)9-8-11-5-1-2-6-12(11)15(20)21/h1-2,5-6,8-9,13H,3-4,7,10,18H2,(H,20,21)(H,22,23)(H,24,25)/b9-8+,19-14+/t13-/m0/s1
定義日:2017-05-18
最終更新日:2023-11-03
公開日:2019-04-10
識別子（ID）:(E)-N~6~-[(2E)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-L-lysine
LDX
LDX
表記:3-(2-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide
組成式:C15 H15 F N2 O
SMILES:O=C(Nc1cnccc1C)CCc1ccccc1F
InChi:InChI=1S/C15H15FN2O/c1-11-8-9-17-10-14(11)18-15(19)7-6-12-4-2-3-5-13(12)16/h2-5,8-10H,6-7H2,1H3,(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）:3-(2-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide
LET
LET
表記:(Z)-N^6-{3-CARBOXY-1-[(4-CARBOXY-2-OXOBUTOXY)METHYL]PROPYLIDENE}-L-LYSINE
組成式:C16 H26 N2 O8
SMILES:O=C(COC/C(=N/CCCCC(C(=O)O)N)CCC(=O)O)CCC(=O)O
InChi:InChI=1S/C16H26N2O8/c17-13(16(24)25)3-1-2-8-18-11(4-6-14(20)21)9-26-10-12(19)5-7-15(22)23/h13H,1-10,17H2,(H,20,21)(H,22,23)(H,24,25)/b18-11+/t13-/m0/s1
別名:2-AMINO-6-[3-CARBOXY-1-(4-CARBOXY-2-OXO-BUTOXYMETHYL)-PROPYLIDENEAMINO]-HEXANOIC ACID
定義日:2005-09-11
最終更新日:2023-11-03
識別子（ID）:(E)-N~6~-{3-carboxy-1-[(4-carboxy-2-oxobutoxy)methyl]propylidene}-L-lysine
LF3
LF3
表記:2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-(4-methylpyridin-3-yl)acetamide
組成式:C16 H14 Cl N3 O3
SMILES:Cc1ccncc1NC(=O)CN1c2cc(Cl)ccc2OCC1=O
InChi:InChI=1S/C16H14ClN3O3/c1-10-4-5-18-7-12(10)19-15(21)8-20-13-6-11(17)2-3-14(13)23-9-16(20)22/h2-7H,8-9H2,1H3,(H,19,21)
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-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-(4-methylpyridin-3-yl)acetamide
LHV
LHV
表記:(2S)-2-hydroxy-3-methylbutanoic acid
組成式:C5 H10 O3
SMILES:O=C(O)C(O)C(C)C
InChi:InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1
定義日:2012-10-16
最終更新日:2023-11-03
公開日:2016-04-20
識別子（ID）:(2S)-2-hydroxy-3-methylbutanoic acid
LJ0
LJ0
表記:(1R,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
組成式:C14 H18 N2 O
SMILES:O=C(Nc1cnccc1C)C1C2CCCCC21
InChi:InChI=1S/C14H18N2O/c1-9-6-7-15-8-12(9)16-14(17)13-10-4-2-3-5-11(10)13/h6-8,10-11,13H,2-5H2,1H3,(H,16,17)/t10-,11+,13+
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,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
LJO
LJO
表記:(3R)-3-cyano-N-(4-methylpyridin-3-yl)oxolane-3-carboxamide
組成式:C12 H13 N3 O2
SMILES:N#CC1(CCOC1)C(=O)Nc1cnccc1C
InChi:InChI=1S/C12H13N3O2/c1-9-2-4-14-6-10(9)15-11(16)12(7-13)3-5-17-8-12/h2,4,6H,3,5,8H2,1H3,(H,15,16)/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）:(3R)-3-cyano-N-(4-methylpyridin-3-yl)oxolane-3-carboxamide
LKE
LKE
表記:2-[(4~{Z})-2-(aminomethyl)-4-[(4-azidophenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
組成式:C13 H12 N6 O3
SMILES:NCC1=NC(=Cc2ccc(cc2)N=[N+]=[N-])C(=O)N1CC(O)=O
InChi:InChI=1S/C13H12N6O3/c14-6-11-16-10(13(22)19(11)7-12(20)21)5-8-1-3-9(4-2-8)17-18-15/h1-5H,6-7,14H2,(H,20,21)/b10-5-
定義日:2019-08-21
最終更新日:2023-11-03
公開日:2021-02-17
識別子（ID）:2-[(4~{Z})-2-(aminomethyl)-4-[(4-azidophenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
LKI
LKI
表記:3-chloro-N-(4-methylpyridin-3-yl)benzene-1-sulfonamide
組成式:C12 H11 Cl N2 O2 S
SMILES:O=S(=O)(Nc1cnccc1C)c1cccc(Cl)c1
InChi:InChI=1S/C12H11ClN2O2S/c1-9-5-6-14-8-12(9)15-18(16,17)11-4-2-3-10(13)7-11/h2-8,15H,1H3
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-chloro-N-(4-methylpyridin-3-yl)benzene-1-sulfonamide
LKX
LKX
表記:2-(3-chlorophenyl)-N-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide
組成式:C10 H9 Cl N4 O2
SMILES:O=C1NN=CN1NC(=O)Cc1cccc(Cl)c1
InChi:InChI=1S/C10H9ClN4O2/c11-8-3-1-2-7(4-8)5-9(16)14-15-6-12-13-10(15)17/h1-4,6H,5H2,(H,13,17)(H,14,16)
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-chlorophenyl)-N-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide
LM0
LM0
表記:(3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
組成式:C14 H17 N3 O3
SMILES:CC(=O)NNC(=O)C1Cc2ccccc2CN1C(C)=O
InChi:InChI=1S/C14H17N3O3/c1-9(18)15-16-14(20)13-7-11-5-3-4-6-12(11)8-17(13)10(2)19/h3-6,13H,7-8H2,1-2H3,(H,15,18)(H,16,20)/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）:(3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
LO0
LO0
表記:N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-2,3-dihydropyridine-4-carboxamide
組成式:C15 H16 N2 O4
SMILES:O=C(NCCOc1ccccc1OC)C1=CC=NC(=O)C1
InChi:InChI=1S/C15H16N2O4/c1-20-12-4-2-3-5-13(12)21-9-8-17-15(19)11-6-7-16-14(18)10-11/h2-7H,8-10H2,1H3,(H,17,19)
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-(2-methoxyphenoxy)ethyl]-2-oxo-2,3-dihydropyridine-4-carboxamide
92B
92B
表記:(3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
組成式:C12 H16 N2 O3
SMILES:OC(=O)[CH]1CC[CH]2C=C[CH]3CCN[CH]3C(=O)N12
InChi:InChI=1S/C12H16N2O3/c15-11-10-7(5-6-13-10)1-2-8-3-4-9(12(16)17)14(8)11/h1-2,7-10,13H,3-6H2,(H,16,17)/t7-,8-,9-,10-/m0/s1
定義日:2017-04-03
最終更新日:2023-11-03
公開日:2017-06-14
識別子（ID）:(3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
LOH
LOH
表記:3,4-dihydroxylysine
組成式:C6 H14 N2 O4
SMILES:NCC[CH](O)[CH](O)[CH](N)C(O)=O
InChi:InChI=1S/C6H14N2O4/c7-2-1-3(9)5(10)4(8)6(11)12/h3-5,9-10H,1-2,7-8H2,(H,11,12)/t3-,4-,5+/m0/s1
定義日:2017-09-08
最終更新日:2023-11-03
公開日:2018-06-27
識別子（ID）:(2~{S},3~{S},4~{S})-2,6-bis(azanyl)-3,4-bis(oxidanyl)hexanoic acid
LPH
LPH
表記:L-Propargylglycine
組成式:C5 H7 N O2
SMILES:O=C(O)C(N)CC#C
InChi:InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)/t4-/m0/s1
別名:(2S)-2-aminopent-4-ynoic acid
定義日:2014-10-03
最終更新日:2023-11-03
公開日:2014-10-29
識別子（ID）:(2S)-2-aminopent-4-ynoic acid
LPV
LPV
表記:(2~{R},3~{S})-3-azanyl-~{N}-[(2~{R})-4-(4-butylphenoxy)-1-phenyl-butan-2-yl]-2-oxidanyl-butanamide
組成式:C24 H34 N2 O3
SMILES:CCCCc1ccc(OCC[CH](Cc2ccccc2)NC(=O)[CH](O)[CH](C)N)cc1
InChi:InChI=1S/C24H34N2O3/c1-3-4-8-19-11-13-22(14-12-19)29-16-15-21(17-20-9-6-5-7-10-20)26-24(28)23(27)18(2)25/h5-7,9-14,18,21,23,27H,3-4,8,15-17,25H2,1-2H3,(H,26,28)/t18-,21-,23+/m0/s1
定義日:2022-07-07
最終更新日:2023-11-03
公開日:2023-10-25
識別子（ID）:(2~{R},3~{S})-3-azanyl-~{N}-[(2~{R})-4-(4-butylphenoxy)-1-phenyl-butan-2-yl]-2-oxidanyl-butanamide
LQ0
LQ0
表記:2-(6-chloro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide
組成式:C16 H14 Cl N3 O
SMILES:Cc1ccncc1NC(=O)Cn1ccc2ccc(Cl)cc21
InChi:InChI=1S/C16H14ClN3O/c1-11-4-6-18-9-14(11)19-16(21)10-20-7-5-12-2-3-13(17)8-15(12)20/h2-9H,10H2,1H3,(H,19,21)
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-(6-chloro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide
LQU
LQU
表記:3-[(4R)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzonitrile
組成式:C18 H16 N2 O
SMILES:N#Cc1cccc(c1)C1CN(Cc2ccccc21)C(C)=O
InChi:InChI=1S/C18H16N2O/c1-13(21)20-11-16-6-2-3-8-17(16)18(12-20)15-7-4-5-14(9-15)10-19/h2-9,18H,11-12H2,1H3/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）:3-[(4R)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzonitrile
LR0
LR0
表記:(7R)-N-(4-acetamidopyridin-3-yl)-4-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
組成式:C16 H14 F N3 O2
SMILES:O=C(Nc1cnccc1NC(C)=O)C1Cc2ccc(F)cc21
InChi:InChI=1S/C16H14FN3O2/c1-9(21)19-14-4-5-18-8-15(14)20-16(22)13-6-10-2-3-11(17)7-12(10)13/h2-5,7-8,13H,6H2,1H3,(H,20,22)(H,18,19,21)/t13-/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）:(7R)-N-(4-acetamidopyridin-3-yl)-4-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
LRC
LRC
表記:2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide
組成式:C13 H12 Cl N3 O
SMILES:O=C(Nc1cnccc1C)Cc1cc(Cl)cnc1
InChi:InChI=1S/C13H12ClN3O/c1-9-2-3-15-8-12(9)17-13(18)5-10-4-11(14)7-16-6-10/h2-4,6-8H,5H2,1H3,(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-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide
C0F
C0F
表記:(4~{R})-2-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
組成式:C12 H14 N4 O3 S
SMILES:N[CH](Cc1ccnc(c1)C2=N[CH](CS2)C(O)=O)C(N)=O
InChi:InChI=1S/C12H14N4O3S/c13-7(10(14)17)3-6-1-2-15-8(4-6)11-16-9(5-20-11)12(18)19/h1-2,4,7,9H,3,5,13H2,(H2,14,17)(H,18,19)/t7-,9-/m0/s1
定義日:2019-04-03
最終更新日:2023-11-03
公開日:2019-06-26
識別子（ID）:(4~{R})-2-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
C0O
C0O
表記:(~{Z},2~{R},6~{S})-2,6-bis(azanyl)hept-3-enedioic acid
組成式:C7 H12 N2 O4
SMILES:N[CH](CC=C[CH](N)C(O)=O)C(O)=O
InChi:InChI=1S/C7H12N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h1-2,4-5H,3,8-9H2,(H,10,11)(H,12,13)/b2-1-/t4-,5+/m1/s1
定義日:2019-04-03
最終更新日:2023-11-03
公開日:2020-01-15
識別子（ID）:(~{Z},2~{R},6~{S})-2,6-bis(azanyl)hept-3-enedioic acid
C1J
C1J
表記:N~5~-(N-octylcarbamimidoyl)-L-ornithine
組成式:C14 H30 N4 O2
SMILES:NC(C(O)=O)CCCN/C(NCCCCCCCC)=N
InChi:InChI=1S/C14H30N4O2/c1-2-3-4-5-6-7-10-17-14(16)18-11-8-9-12(15)13(19)20/h12H,2-11,15H2,1H3,(H,19,20)(H3,16,17,18)/t12-/m0/s1
定義日:2017-09-08
最終更新日:2023-11-03
公開日:2017-12-13
識別子（ID）:N~5~-(N-octylcarbamimidoyl)-L-ornithine
TOQ
TOQ
表記:6,7-dihydroxy-L-tryptophan
組成式:C11 H12 N2 O4
SMILES:O=C(O)C(N)Cc2c1ccc(O)c(O)c1nc2
InChi:InChI=1S/C11H12N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13-15H,3,12H2,(H,16,17)/t7-/m0/s1
定義日:2011-07-22
最終更新日:2023-11-03
識別子（ID）:6,7-dihydroxy-L-tryptophan

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