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2QY
2QY
表記:(2Z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid
組成式:C10 H11 N O3
SMILES:O=C(O)/C(=C/c1ccc(O)cc1)NC
InChi:InChI=1S/C10H11NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-6,11-12H,1H3,(H,13,14)/b9-6-
定義日:2014-01-09
最終更新日:2023-11-03
公開日:2014-04-02
識別子（ID）:(2Z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid
2R3
2R3
表記:(betaR)-beta-hydroxy-O-methyl-L-tyrosine
組成式:C10 H13 N O4
SMILES:O=C(O)C(N)C(O)c1ccc(OC)cc1
InChi:InChI=1S/C10H13NO4/c1-15-7-4-2-6(3-5-7)9(12)8(11)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m0/s1
定義日:2014-01-10
最終更新日:2023-11-03
公開日:2014-04-02
識別子（ID）:(betaR)-beta-hydroxy-O-methyl-L-tyrosine
J2F
J2F
表記:(2~{S})-2-azanyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid
組成式:C16 H16 N2 O5
SMILES:N[CH](Cc1ccc(OCc2ccccc2[N+]([O-])=O)cc1)C(O)=O
InChi:InChI=1S/C16H16N2O5/c17-14(16(19)20)9-11-5-7-13(8-6-11)23-10-12-3-1-2-4-15(12)18(21)22/h1-8,14H,9-10,17H2,(H,19,20)/t14-/m0/s1
定義日:2022-08-04
最終更新日:2023-11-03
公開日:2022-09-21
識別子（ID）:(2~{S})-2-azanyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid
2RX
2RX
表記:O-thiophosphono-L-serine
組成式:C3 H8 N O5 P S
SMILES:O=P(OCC(C(=O)O)N)(O)S
InChi:InChI=1S/C3H8NO5PS/c4-2(3(5)6)1-9-10(7,8)11/h2H,1,4H2,(H,5,6)(H2,7,8,11)/t2-/m0/s1
定義日:2014-01-14
最終更新日:2023-11-03
公開日:2014-05-28
識別子（ID）:O-thiophosphono-L-serine
J3D
J3D
表記:N-carboxy-L-cysteine
組成式:C4 H7 N O4 S
SMILES:C(S)C(C(O)=O)NC(=O)O
InChi:InChI=1S/C4H7NO4S/c6-3(7)2(1-10)5-4(8)9/h2,5,10H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
定義日:2018-08-06
最終更新日:2023-11-03
公開日:2019-08-07
識別子（ID）:N-carboxy-L-cysteine
J3K
J3K
表記:(2~{R})-1-azanylpropan-2-ol
組成式:C3 H9 N O
SMILES:C[CH](O)CN
InChi:InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m1/s1
定義日:2019-01-17
最終更新日:2023-11-03
公開日:2020-04-15
識別子（ID）:(2~{R})-1-azanylpropan-2-ol
2TY
2TY
表記:2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-L-TYROSINE
組成式:C17 H18 N2 O4
SMILES:O=C(O)C(N)Cc2cc(N=CCc1ccccc1)c(O)cc2O
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/h1-5,7,9-10,13,20-21H,6,8,18H2,(H,22,23)/b19-7+/t13-/m0/s1
定義日:2005-07-07
最終更新日:2023-11-03
識別子（ID）:2-hydroxy-5-{[(1E)-2-phenylethylidene]amino}-L-tyrosine
2UE
2UE
表記:1-[4-(2-oxoethyl)benzyl]guanidine
組成式:C10 H13 N3 O
SMILES:C(c1ccc(cc1)CNC(N)=[N@H])C=O
InChi:InChI=1S/C10H13N3O/c11-10(12)13-7-9-3-1-8(2-4-9)5-6-14/h1-4,6H,5,7H2,(H4,11,12,13)
定義日:2015-06-22
最終更新日:2023-11-03
公開日:2015-07-01
識別子（ID）:1-[4-(2-oxoethyl)benzyl]guanidine
J7H
J7H
表記:(2~{R})-2-azanyl-2-methyl-heptanoic acid
組成式:C8 H17 N O2
SMILES:CCCCC[C](C)(N)C(O)=O
InChi:InChI=1S/C8H17NO2/c1-3-4-5-6-8(2,9)7(10)11/h3-6,9H2,1-2H3,(H,10,11)/t8-/m1/s1
定義日:2019-02-08
最終更新日:2023-11-03
公開日:2019-10-02
識別子（ID）:(2~{R})-2-azanyl-2-methyl-heptanoic acid
J8W
J8W
表記:(2~{S})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
組成式:C6 H9 N O6
SMILES:N[CH](COC(=O)CC(O)=O)C(O)=O
InChi:InChI=1S/C6H9NO6/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1
定義日:2019-02-11
最終更新日:2023-11-03
公開日:2020-03-18
識別子（ID）:(2~{S})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
J9A
J9A
表記:N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine
組成式:C8 H15 N3 O5
SMILES:O=C(O)CCC(N)C(=O)NCC(C(=O)O)N
InChi:InChI=1S/C8H15N3O5/c9-4(1-2-6(12)13)7(14)11-3-5(10)8(15)16/h4-5H,1-3,9-10H2,(H,11,14)(H,12,13)(H,15,16)/t4-,5-/m0/s1
定義日:2018-08-24
最終更新日:2023-11-03
公開日:2019-08-14
識別子（ID）:N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine
JBY
JBY
表記:(2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid
組成式:C14 H15 N3 O4
SMILES:C1(=NC(C(=O)N1C(C(=O)O)C)=C/c2ccc(O)cc2)CN
InChi:InChI=1S/C14H15N3O4/c1-8(14(20)21)17-12(7-15)16-11(13(17)19)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,20,21)/b11-6-/t8-/m0/s1
別名:Gly-Ala-Try Chromophore
定義日:2018-08-29
最終更新日:2023-11-03
公開日:2019-03-13
識別子（ID）:(2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid
7ID
7ID
表記:(2~{S})-4-[[(2~{S})-5-[[azanyl($l^{4}-azanylidene)methyl]amino]-1-$l^{1}-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-$l^{2}-azanyl-4-oxidanylidene-butanoic acid
組成式:C10 H19 N5 O5
SMILES:O=C(NC(CCCNC(=N)N)C(=O)O)CC(N)C(=O)O
InChi:InChI=1S/C10H19N5O5/c11-5(8(17)18)4-7(16)15-6(9(19)20)2-1-3-14-10(12)13/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H4,12,13,14)/t5-,6-/m0/s1
定義日:2021-08-11
最終更新日:2023-11-03
公開日:2021-08-18
識別子（ID）:L-beta-aspartyl-L-arginine
JG3
JG3
表記:1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline
組成式:C15 H22 N2 O3
SMILES:O=C(O)C2N(CC(O)C(N)Cc1ccccc1)CCC2
InChi:InChI=1S/C15H22N2O3/c16-12(9-11-5-2-1-3-6-11)14(18)10-17-8-4-7-13(17)15(19)20/h1-3,5-6,12-14,18H,4,7-10,16H2,(H,19,20)/t12-,13-,14-/m0/s1
定義日:2010-09-13
最終更新日:2023-11-03
識別子（ID）:1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline
RMI
RMI
表記:2-(3-chlorophenyl)-N-{7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide
組成式:C21 H22 Cl N3 O2
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)OCCN(C)C
InChi:InChI=1S/C21H22ClN3O2/c1-25(2)8-9-27-18-6-7-19-16(12-18)13-23-14-20(19)24-21(26)11-15-4-3-5-17(22)10-15/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,26)
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-{7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide
RN0
RN0
表記:4-[2-(3-chlorophenyl)acetamido]isoquinolin-6-yl methanesulfonate
組成式:C18 H15 Cl N2 O4 S
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)OS(C)(=O)=O
InChi:InChI=1S/C18H15ClN2O4S/c1-26(23,24)25-15-6-5-13-10-20-11-17(16(13)9-15)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22)
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:4-[2-(3-chlorophenyl)acetamido]isoquinolin-6-yl methanesulfonate
RNI
RNI
表記:(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-{7-[(methanesulfonyl)amino]isoquinolin-4-yl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C25 H24 Cl N5 O5 S2
SMILES:CS(=O)(=O)Nc1ccc2c(c1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)S(=O)(=O)CC1(C#N)CC1
InChi:InChI=1S/C25H24ClN5O5S2/c1-37(33,34)30-19-4-5-20-17(8-19)10-28-11-23(20)29-24(32)22-13-31(12-16-2-3-18(26)9-21(16)22)38(35,36)15-25(14-27)6-7-25/h2-5,8-11,22,30H,6-7,12-13,15H2,1H3,(H,29,32)/t22-/m1/s1
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-{7-[(methanesulfonyl)amino]isoquinolin-4-yl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
ROZ
ROZ
表記:4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxamide
組成式:C18 H14 Cl N3 O2
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)C(N)=O
InChi:InChI=1S/C18H14ClN3O2/c19-14-3-1-2-11(6-14)7-17(23)22-16-10-21-9-13-5-4-12(18(20)24)8-15(13)16/h1-6,8-10H,7H2,(H2,20,24)(H,22,23)
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxamide
RPI
RPI
表記:phospho-arginine
組成式:C6 H15 N4 O5 P
SMILES:N[CH](CCCNC(=N)N[P](O)(O)=O)C(O)=O
InChi:InChI=1S/C6H15N4O5P/c7-4(5(11)12)2-1-3-9-6(8)10-16(13,14)15/h4H,1-3,7H2,(H,11,12)(H5,8,9,10,13,14,15)/t4-/m0/s1
定義日:2016-01-02
最終更新日:2023-11-03
公開日:2016-10-12
識別子（ID）:(2~{S})-2-azanyl-5-[(~{N}-phosphonocarbamimidoyl)amino]pentanoic acid
7MD
7MD
表記:5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine
組成式:C17 H27 N8 O9 P
SMILES:O=C(O)CC(N)C(=O)NP(=O)(OCCCN)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C17H27N8O9P/c18-2-1-3-32-35(31,24-16(30)8(19)4-10(26)27)33-5-9-12(28)13(29)17(34-9)25-7-23-11-14(20)21-6-22-15(11)25/h6-9,12-13,17,28-29H,1-5,18-19H2,(H,26,27)(H2,20,21,22)(H,24,30,31)/t8-,9+,12+,13+,17+,35+/m0/s1
定義日:2011-09-11
最終更新日:2023-11-03
識別子（ID）:5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine
RPK
RPK
表記:N-(6-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide
組成式:C19 H16 Cl N3 O2
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)NC(C)=O
InChi:InChI=1S/C19H16ClN3O2/c1-12(24)22-16-6-5-14-10-21-11-18(17(14)9-16)23-19(25)8-13-3-2-4-15(20)7-13/h2-7,9-11H,8H2,1H3,(H,22,24)(H,23,25)
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(6-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide
RQ6
RQ6
表記:(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C22 H18 Cl F N4 O3
SMILES:Fc1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21
InChi:InChI=1S/C22H18ClFN4O3/c1-25-20(29)11-28-10-18(17-7-13(23)2-4-16(17)22(28)31)21(30)27-19-9-26-8-12-6-14(24)3-5-15(12)19/h2-9,18H,10-11H2,1H3,(H,25,29)(H,27,30)/t18-/m1/s1
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
7N8
7N8
表記:4-Borono-L-phenylalanine
組成式:C9 H12 B N O4
SMILES:N[CH](Cc1ccc(cc1)B(O)O)C(O)=O
InChi:InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1
定義日:2016-11-24
最終更新日:2023-11-03
公開日:2017-10-11
識別子（ID）:(2~{S})-2-azanyl-3-[4-(dihydroxyboranyl)phenyl]propanoic acid
RQF
RQF
表記:(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C24 H22 Cl F N4 O3
SMILES:Fc1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NCCC)C(=O)c2ccc(Cl)cc21
InChi:InChI=1S/C24H22ClFN4O3/c1-2-7-28-22(31)13-30-12-20(19-9-15(25)3-5-18(19)24(30)33)23(32)29-21-11-27-10-14-8-16(26)4-6-17(14)21/h3-6,8-11,20H,2,7,12-13H2,1H3,(H,28,31)(H,29,32)/t20-/m1/s1
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
7NF
7NF
表記:2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid
組成式:C7 H7 N O4 S
SMILES:CCOC(=O)c1scc(n1)C(O)=O
InChi:InChI=1S/C7H7NO4S/c1-2-12-7(11)5-8-4(3-13-5)6(9)10/h3H,2H2,1H3,(H,9,10)
定義日:2016-11-27
最終更新日:2023-11-03
公開日:2017-12-20
識別子（ID）:2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid

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