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KV6
KV6
表記:(3R)-3-aminoheptadecanoic acid
組成式:C17 H35 N O2
SMILES:NC(CCCCCCCCCCCCCC)CC(=O)O
InChi:InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20/h16H,2-15,18H2,1H3,(H,19,20)/t16-/m1/s1
別名:N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl )-3-oxo-oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl ]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
定義日:2022-02-16
最終更新日:2023-11-03
公開日:2023-03-01
識別子（ID）:(3R)-3-aminoheptadecanoic acid
KVF
KVF
表記:(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide
組成式:C15 H16 Cl N3 O
SMILES:Cc1cnncc1NC(=O)C(CC)c1cccc(Cl)c1
InChi:InChI=1S/C15H16ClN3O/c1-3-13(11-5-4-6-12(16)7-11)15(20)19-14-9-18-17-8-10(14)2/h4-9,13H,3H2,1-2H3,(H,17,19,20)/t13-/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)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide
KVO
KVO
表記:2-(3-chlorophenyl)-N-(2,4-dimethylpyridin-3-yl)acetamide
組成式:C15 H15 Cl N2 O
SMILES:Cc1nccc(C)c1NC(=O)Cc1cccc(Cl)c1
InChi:InChI=1S/C15H15ClN2O/c1-10-6-7-17-11(2)15(10)18-14(19)9-12-4-3-5-13(16)8-12/h3-8H,9H2,1-2H3,(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-(3-chlorophenyl)-N-(2,4-dimethylpyridin-3-yl)acetamide
1PA
1PA
表記:4-(carboxymethyl)-L-phenylalanine
組成式:C11 H13 N O4
SMILES:O=C(O)C(N)Cc1ccc(cc1)CC(=O)O
InChi:InChI=1S/C11H13NO4/c12-9(11(15)16)5-7-1-3-8(4-2-7)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
別名:p-(carboxymethyl)phenylalanine
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:4-(carboxymethyl)-L-phenylalanine
KVX
KVX
表記:(3S)-5-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
組成式:C15 H13 Cl N2 O3
SMILES:OCc1ccncc1NC(=O)C1COc2ccc(Cl)cc21
InChi:InChI=1S/C15H13ClN2O3/c16-10-1-2-14-11(5-10)12(8-21-14)15(20)18-13-6-17-4-3-9(13)7-19/h1-6,12,19H,7-8H2,(H,18,20)/t12-/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）:(3S)-5-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
KW9
KW9
表記:7-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
組成式:C19 H17 F N2 O4
SMILES:COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cc(F)ccc21
InChi:InChI=1S/C19H17FN2O4/c1-25-16-4-2-3-5-17(16)26-9-8-21-19(24)14-11-18(23)22-15-10-12(20)6-7-13(14)15/h2-7,10-11H,8-9H2,1H3,(H,21,24)(H,22,23)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:7-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
KWR
KWR
表記:N-(3-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyridin-3-yl)acetamide
組成式:C16 H15 N3 O3
SMILES:O=C(Cc1cccnc1)Nc1cccc(c1)OC1CC(=O)N1
InChi:InChI=1S/C16H15N3O3/c20-14(7-11-3-2-6-17-10-11)18-12-4-1-5-13(8-12)22-16-9-15(21)19-16/h1-6,8,10,16H,7,9H2,(H,18,20)(H,19,21)/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-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyridin-3-yl)acetamide
1QI
1QI
表記:(2R,4S,5S)-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid
組成式:C15 H23 N O3
SMILES:CC(C)[CH](N)[CH](O)C[CH](Cc1ccccc1)C(O)=O
InChi:InChI=1S/C15H23NO3/c1-10(2)14(16)13(17)9-12(15(18)19)8-11-6-4-3-5-7-11/h3-7,10,12-14,17H,8-9,16H2,1-2H3,(H,18,19)/t12-,13+,14+/m1/s1
定義日:2021-06-14
最終更新日:2023-11-03
公開日:2021-08-11
識別子（ID）:(2~{R},4~{S},5~{S})-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid
KX9
KX9
表記:(2R)-2-(3-chlorophenyl)-N-[(4M)-4-(1H-pyrazol-1-yl)pyridin-3-yl]propanamide
組成式:C17 H15 Cl N4 O
SMILES:Clc1cccc(c1)C(C)C(=O)Nc1cnccc1n1cccn1
InChi:InChI=1S/C17H15ClN4O/c1-12(13-4-2-5-14(18)10-13)17(23)21-15-11-19-8-6-16(15)22-9-3-7-20-22/h2-12H,1H3,(H,21,23)/t12-/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)-N-[(4M)-4-(1H-pyrazol-1-yl)pyridin-3-yl]propanamide
KXF
KXF
表記:2-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide
組成式:C14 H14 N2 O2
SMILES:O=C(Nc1cnccc1C)Cc1cccc(O)c1
InChi:InChI=1S/C14H14N2O2/c1-10-5-6-15-9-13(10)16-14(18)8-11-3-2-4-12(17)7-11/h2-7,9,17H,8H2,1H3,(H,16,18)
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-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide
KXR
KXR
表記:N-(3-fluoro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
組成式:C15 H13 F N4 O3
SMILES:Fc1cc(cc(OC2CC(=O)N2)c1)NC(=O)Cc1cncnc1
InChi:InChI=1S/C15H13FN4O3/c16-10-2-11(4-12(3-10)23-15-5-14(22)20-15)19-13(21)1-9-6-17-8-18-7-9/h2-4,6-8,15H,1,5H2,(H,19,21)(H,20,22)/t15-/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-fluoro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
KXV
KXV
表記:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}ac etic acid
組成式:C15 H17 N3 O5 S
SMILES:NC(CS)C=1N(CC(=O)O)C(=O)C(N=1)=[C@H]c2ccc(c(c2)OC)O
InChi:InChI=1S/C15H17N3O5S/c1-23-12-5-8(2-3-11(12)19)4-10-15(22)18(6-13(20)21)14(17-10)9(16)7-24/h2-5,9,19,24H,6-7,16H2,1H3,(H,20,21)/b10-4-/t9-/m0/s1
別名:CHROMOPHORE (CYS-TYR-GLY)-3-OMeY
定義日:2019-01-23
最終更新日:2023-11-03
公開日:2019-06-12
識別子（ID）:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KY0
KY0
表記:1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide
組成式:C16 H15 Cl N2 O
SMILES:O=C(Nc1cnccc1C)C1(CC1)c1cccc(Cl)c1
InChi:InChI=1S/C16H15ClN2O/c1-11-5-8-18-10-14(11)19-15(20)16(6-7-16)12-3-2-4-13(17)9-12/h2-5,8-10H,6-7H2,1H3,(H,19,20)
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-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide
KY4
KY4
表記:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C14 H13 F2 N3 O4 S
SMILES:NC(CS)C1=N/C(C(N1CC(O)=O)=O)=Cc2c(F)c(F)c(cc2)O
InChi:InChI=1S/C14H13F2N3O4S/c15-11-6(1-2-9(20)12(11)16)3-8-14(23)19(4-10(21)22)13(18-8)7(17)5-24/h1-3,7,20,24H,4-5,17H2,(H,21,22)/b8-3-/t7-/m0/s1
別名:CHROMOPHORE (CYS-TYR-GLY)-2,3-F
定義日:2019-01-23
最終更新日:2023-11-03
公開日:2019-06-12
識別子（ID）:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KY7
KY7
表記:{(4Z)-2-[(1S)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C14 H14 N4 O6 S
SMILES:NC(CS)C1=N/C(C(N1CC(=O)O)=O)=Cc2cc(c(cc2)O)[N+](=O)[O-]
InChi:InChI=1S/C14H14N4O6S/c15-8(6-25)13-16-9(14(22)17(13)5-12(20)21)3-7-1-2-11(19)10(4-7)18(23)24/h1-4,8,19,25H,5-6,15H2,(H,20,21)/b9-3-/t8-/m1/s1
別名:CHROMOPHORE (CYS-TYR-GLY)-3-NO2
定義日:2019-01-23
最終更新日:2023-11-03
公開日:2019-06-12
識別子（ID）:{(4Z)-2-[(1S)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KYC
KYC
表記:(2S)-2-(3-chlorophenyl)-2-(dimethylamino)-N-(4-methylpyridin-3-yl)acetamide
組成式:C16 H18 Cl N3 O
SMILES:O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)N(C)C
InChi:InChI=1S/C16H18ClN3O/c1-11-7-8-18-10-14(11)19-16(21)15(20(2)3)12-5-4-6-13(17)9-12/h4-10,15H,1-3H3,(H,19,21)/t15-/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)-2-(3-chlorophenyl)-2-(dimethylamino)-N-(4-methylpyridin-3-yl)acetamide
KYN
KYN
表記:(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
組成式:C10 H12 N2 O3
SMILES:O=C(c1ccccc1N)CC(C(=O)O)N
InChi:InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
別名:L-KYNURENINE
定義日:2004-05-16
最終更新日:2023-11-03
識別子（ID）:(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
QBC
QBC
表記:7-chloroquinolin-4-amine
組成式:C9 H7 Cl N2
SMILES:Clc1cc2nccc(N)c2cc1
InChi:InChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)
定義日:2022-06-06
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:7-chloroquinolin-4-amine
QBR
QBR
表記:N-(4-tert-butylphenyl)-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
組成式:C30 H30 F N3 O3
SMILES:O=C(N(C(c1cccnc1)C(=O)NCCc1cccc(F)c1)c1ccc(cc1)C(C)(C)C)c1ccco1
InChi:InChI=1S/C30H30FN3O3/c1-30(2,3)23-11-13-25(14-12-23)34(29(36)26-10-6-18-37-26)27(22-8-5-16-32-20-22)28(35)33-17-15-21-7-4-9-24(31)19-21/h4-14,16,18-20,27H,15,17H2,1-3H3,(H,33,35)/t27-/m1/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(4-tert-butylphenyl)-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
1TQ
1TQ
表記:6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAN
組成式:C12 H13 N3 O4
SMILES:O=C(O)C(N)Cc2c1ccc(c(O)c1nc2)NC=O
InChi:InChI=1S/C12H13N3O4/c13-8(12(18)19)3-6-4-14-10-7(6)1-2-9(11(10)17)15-5-16/h1-2,4-5,8,14,17H,3,13H2,(H,15,16)(H,18,19)/t8-/m0/s1
定義日:2006-08-22
最終更新日:2023-11-03
識別子（ID）:6-(formylamino)-7-hydroxy-L-tryptophan
QC3
QC3
表記:(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one
組成式:C19 H15 Cl N2 O
SMILES:Clc1cccc(c1)C1CCN(c2cncc3ccccc23)C1=O
InChi:InChI=1S/C19H15ClN2O/c20-15-6-3-5-13(10-15)17-8-9-22(19(17)23)18-12-21-11-14-4-1-2-7-16(14)18/h1-7,10-12,17H,8-9H2/t17-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one
QC4
QC4
表記:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C15 H14 F3 N3 O5
SMILES:NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(F)c(c(c2F)F)O
InChi:InChI=1S/C15H14F3N3O5/c1-5(22)12(19)14-20-8(15(26)21(14)4-9(23)24)3-6-2-7(16)13(25)11(18)10(6)17/h2-3,5,12,22,25H,4,19H2,1H3,(H,23,24)/b8-3-/t5-,12+/m1/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2019-10-11
最終更新日:2023-11-03
公開日:2020-10-14
識別子（ID）:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid
1TY
1TY
表記:3-{(3E)-4-HYDROXY-6-OXO-3-[(2-PHENYLETHYL)IMINO]CYCLOHEXA-1,4-DIEN-1-YL}ALANINE
組成式:C17 H18 N2 O4
SMILES:O=C2C=C(O)/C(=N/CCc1ccccc1)C=C2CC(C(=O)O)N
InChi:InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,13,21H,6-8,18H2,(H,22,23)/b19-14+/t13-/m0/s1
定義日:2005-07-07
最終更新日:2023-11-03
識別子（ID）:3-{(3E)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}-L-alanine
QC6
QC6
表記:8-fluoro-2-methylquinolin-4-amine
組成式:C10 H9 F N2
SMILES:Fc1cccc2c(N)cc(C)nc12
InChi:InChI=1S/C10H9FN2/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,1H3,(H2,12,13)
定義日:2022-06-07
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:8-fluoro-2-methylquinolin-4-amine
QCA
QCA
表記:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C15 H16 N4 O7
SMILES:NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(N(=O)=O)c(cc2)O
InChi:InChI=1S/C15H16N4O7/c1-7(20)13(16)14-17-9(15(24)18(14)6-12(22)23)4-8-2-3-11(21)10(5-8)19(25)26/h2-5,7,13,20-21H,6,16H2,1H3,(H,22,23)/b9-4-/t7-,13+/m1/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2019-10-11
最終更新日:2023-11-03
公開日:2020-10-14
識別子（ID）:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

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