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QXX
QXX
表記:2-(3-chlorophenyl)-N-[4-(trifluoromethyl)pyridin-3-yl]acetamide
組成式:C14 H10 Cl F3 N2 O
SMILES:O=C(Nc1cnccc1C(F)(F)F)Cc1cccc(Cl)c1
InChi:InChI=1S/C14H10ClF3N2O/c15-10-3-1-2-9(6-10)7-13(21)20-12-8-19-5-4-11(12)14(16,17)18/h1-6,8H,7H2,(H,20,21)
定義日:2023-08-21
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-[4-(trifluoromethyl)pyridin-3-yl]acetamide
QY6
QY6
表記:(3R)-6'-chloro-1-(isoquinolin-4-yl)-2',3'-dihydro-1'H-spiro[piperidine-3,4'-quinolin]-2-one
組成式:C22 H20 Cl N3 O
SMILES:O=C1N(CCCC11CCNc2ccc(Cl)cc21)c1cncc2ccccc21
InChi:InChI=1S/C22H20ClN3O/c23-16-6-7-19-18(12-16)22(9-10-25-19)8-3-11-26(21(22)27)20-14-24-13-15-4-1-2-5-17(15)20/h1-2,4-7,12-14,25H,3,8-11H2/t22-/m1/s1
定義日:2023-08-21
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(3R)-6'-chloro-1-(isoquinolin-4-yl)-2',3'-dihydro-1'H-spiro[piperidine-3,4'-quinolin]-2-one
QYG
QYG
表記:{(4E)-2-[(1S)-1,4-diamino-4-oxobutyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C16 H18 N4 O5
SMILES:C(=O)(O)CN1C(C(CCC(N)=O)N)=NC(C1=O)=Cc2ccc(O)cc2
InChi:InChI=1S/C16H18N4O5/c17-11(5-6-13(18)22)15-19-12(16(25)20(15)8-14(23)24)7-9-1-3-10(21)4-2-9/h1-4,7,11,21H,5-6,8,17H2,(H2,18,22)(H,23,24)/b12-7+/t11-/m0/s1
定義日:2019-01-16
最終更新日:2023-11-03
公開日:2019-11-06
識別子（ID）:{(4E)-2-[(1S)-1,4-diamino-4-oxobutyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
QYI
QYI
表記:(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C20 H16 Cl F N2 O3
SMILES:Fc1cc2c(cc1)cncc2NC(=O)C1(CCOc2ccc(Cl)cc21)OC
InChi:InChI=1S/C20H16ClFN2O3/c1-26-20(6-7-27-18-5-3-13(21)8-16(18)20)19(25)24-17-11-23-10-12-2-4-14(22)9-15(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)/t20-/m0/s1
定義日:2023-08-21
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QYN
QYN
表記:(4S)-6-chloro-2-(1H-imidazole-2-sulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C22 H18 Cl N5 O3 S
SMILES:O=S(=O)(c1ncc[NH]1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C22H18ClN5O3S/c23-16-6-5-15-12-28(32(30,31)22-25-7-8-26-22)13-19(18(15)9-16)21(29)27-20-11-24-10-14-3-1-2-4-17(14)20/h1-11,19H,12-13H2,(H,25,26)(H,27,29)/t19-/m1/s1
定義日:2023-08-21
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-2-(1H-imidazole-2-sulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
DI8
DI8
表記:(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
組成式:C10 H11 N O2
SMILES:O=C(O)C2NCc1ccccc1C2
InChi:InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1
定義日:2014-12-10
最終更新日:2023-11-03
公開日:2015-01-14
識別子（ID）:(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
DIX
DIX
表記:METHYL(CYCLOPENTYL-PROPYL)AMINE
組成式:C9 H19 N
SMILES:N(CCCC1CCCC1)C
InChi:InChI=1S/C9H19N/c1-10-8-4-7-9-5-2-3-6-9/h9-10H,2-8H2,1H3
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:3-cyclopentyl-N-methylpropan-1-amine
73C
73C
表記:(2~{S})-2-azanyl-3-butoxy-propanoic acid
組成式:C7 H15 N O3
SMILES:CCCCOC[CH](N)C(O)=O
InChi:InChI=1S/C7H15NO3/c1-2-3-4-11-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
定義日:2015-12-22
最終更新日:2023-11-03
公開日:2016-06-15
識別子（ID）:(2~{S})-2-azanyl-3-butoxy-propanoic acid
DJD
DJD
表記:4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine
組成式:C12 H13 N5 O2
SMILES:NC(Cc1ccc(cc1)c2nnc(C)nn2)C(O)=O
InChi:InChI=1S/C12H13N5O2/c1-7-14-16-11(17-15-7)9-4-2-8(3-5-9)6-10(13)12(18)19/h2-5,10H,6,13H2,1H3,(H,18,19)/t10-/m0/s1
定義日:2017-10-26
最終更新日:2023-11-03
公開日:2019-10-02
識別子（ID）:4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine
73N
73N
表記:(2~{S})-5-carbamimidamido-2-(carboxyamino)pentanoic acid
組成式:C7 H14 N4 O4
SMILES:NC(=N)NCCC[CH](NC(O)=O)C(O)=O
InChi:InChI=1S/C7H14N4O4/c8-6(9)10-3-1-2-4(5(12)13)11-7(14)15/h4,11H,1-3H2,(H,12,13)(H,14,15)(H4,8,9,10)/t4-/m0/s1
定義日:2016-08-19
最終更新日:2023-11-03
公開日:2016-09-21
識別子（ID）:(2~{S})-5-carbamimidamido-2-(carboxyamino)pentanoic acid
73O
73O
表記:(2~{S})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid
組成式:C10 H13 N O3
SMILES:N[CH](CCc1ccc(O)cc1)C(O)=O
InChi:InChI=1S/C10H13NO3/c11-9(10(13)14)6-3-7-1-4-8(12)5-2-7/h1-2,4-5,9,12H,3,6,11H2,(H,13,14)/t9-/m0/s1
定義日:2016-08-19
最終更新日:2023-11-03
公開日:2016-09-21
識別子（ID）:(2~{S})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid
73P
73P
表記:(2~{S})-6-azanyl-2-(carboxyamino)hexanoic acid
組成式:C7 H14 N2 O4
SMILES:NCCCC[CH](NC(O)=O)C(O)=O
InChi:InChI=1S/C7H14N2O4/c8-4-2-1-3-5(6(10)11)9-7(12)13/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1
定義日:2016-08-19
最終更新日:2023-11-03
公開日:2016-09-21
識別子（ID）:(2~{S})-6-azanyl-2-(carboxyamino)hexanoic acid
8RE
8RE
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:2017-02-28
最終更新日:2023-11-03
公開日:2018-03-14
識別子（ID）:(2~{S},3~{R},4~{S})-2,6-bis(azanyl)-3,4-bis(oxidanyl)hexanoic acid
DNG
DNG
表記:N-FORMYL-D-NORLEUCINE
組成式:C7 H13 N O3
SMILES:O=CNC(C(=O)O)CCCC
InChi:InChI=1S/C7H13NO3/c1-2-3-4-6(7(10)11)8-5-9/h5-6H,2-4H2,1H3,(H,8,9)(H,10,11)/t6-/m1/s1
定義日:2004-01-27
最終更新日:2023-11-03
識別子（ID）:N-formyl-D-norleucine
DNM
DNM
表記:N-methyl-D-norleucine
組成式:C7 H15 N O2
SMILES:C(C(NC)CCCC)(=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-/m1/s1
定義日:2003-11-17
最終更新日:2023-11-03
識別子（ID）:N-methyl-D-norleucine
8SN
8SN
表記:(3~{S},7~{R},10~{R},11~{R},13~{S})-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
組成式:C13 H18 N2 O3
SMILES:C[CH]1C[CH](N2[CH]1C=C[CH]3CCN[CH]3C2=O)C(O)=O
InChi:InChI=1S/C13H18N2O3/c1-7-6-10(13(17)18)15-9(7)3-2-8-4-5-14-11(8)12(15)16/h2-3,7-11,14H,4-6H2,1H3,(H,17,18)/t7-,8+,9+,10+,11+/m1/s1
定義日:2017-03-03
最終更新日:2023-11-03
公開日:2018-03-21
識別子（ID）:(3~{S},7~{R},10~{R},11~{R},13~{S})-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
DNW
DNW
表記:3-[(2,4-dinitrophenyl)amino]-L-alanine
組成式:C9 H10 N4 O6
SMILES:O=C(O)C(N)CNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
InChi:InChI=1S/C9H10N4O6/c10-6(9(14)15)4-11-7-2-1-5(12(16)17)3-8(7)13(18)19/h1-3,6,11H,4,10H2,(H,14,15)/t6-/m0/s1
定義日:2013-05-07
最終更新日:2023-11-03
公開日:2014-03-12
識別子（ID）:3-[(2,4-dinitrophenyl)amino]-L-alanine
DOA
DOA
表記:12-AMINO-DODECANOIC ACID
組成式:C12 H25 N O2
SMILES:O=C(O)CCCCCCCCCCCN
InChi:InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)
定義日:2000-03-31
最終更新日:2023-11-03
識別子（ID）:12-aminododecanoic acid
DPN
DPN
表記:D-PHENYLALANINE
組成式:C9 H11 N O2
SMILES:O=C(O)C(N)Cc1ccccc1
InChi:InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:D-phenylalanine
DQK
DQK
表記:(2~{S})-4-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-2-naphthalen-2-ylsulfanyl-4-oxidanylidene-butanoic acid
組成式:C20 H24 N2 O4 S
SMILES:N[CH](CCCCNC(=O)C[CH](Sc1ccc2ccccc2c1)C(O)=O)C=O
InChi:InChI=1S/C20H24N2O4S/c21-16(13-23)7-3-4-10-22-19(24)12-18(20(25)26)27-17-9-8-14-5-1-2-6-15(14)11-17/h1-2,5-6,8-9,11,13,16,18H,3-4,7,10,12,21H2,(H,22,24)(H,25,26)/t16-,18-/m0/s1
定義日:2018-01-26
最終更新日:2023-11-03
公開日:2018-04-18
識別子（ID）:(2~{S})-4-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-2-naphthalen-2-ylsulfanyl-4-oxidanylidene-butanoic acid
DTR
DTR
表記:D-TRYPTOPHAN
組成式:C11 H12 N2 O2
SMILES:O=C(O)C(N)Cc2c1ccccc1nc2
InChi:InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:D-tryptophan
DTY
DTY
表記:D-TYROSINE
組成式:C9 H11 N O3
SMILES:O=C(O)C(N)Cc1ccc(O)cc1
InChi:InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:D-tyrosine
DV7
DV7
表記:L-(7-hydroxycoumarin-4-yl)ethylglycine
組成式:C13 H13 N O5
SMILES:C(C(CCC=2c1ccc(O)cc1OC(C=2)=O)N)(=O)O
InChi:InChI=1S/C13H13NO5/c14-10(13(17)18)4-1-7-5-12(16)19-11-6-8(15)2-3-9(7)11/h2-3,5-6,10,15H,1,4,14H2,(H,17,18)/t10-/m0/s1
別名:(2S)-2-amino-4-(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)butanoic acid
定義日:2017-11-09
最終更新日:2023-11-03
公開日:2018-11-14
識別子（ID）:(2S)-2-amino-4-(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)butanoic acid
DV9
DV9
表記:(2S)-2-azanyl-6,6-bis(fluoranyl)-5-oxidanylidene-6-phosphono-hexanoic acid
組成式:C6 H10 F2 N O6 P
SMILES:N[CH](CCC(=O)C(F)(F)[P](O)(O)=O)C(O)=O
InChi:InChI=1S/C6H10F2NO6P/c7-6(8,16(13,14)15)4(10)2-1-3(9)5(11)12/h3H,1-2,9H2,(H,11,12)(H2,13,14,15)/t3-/m0/s1
定義日:2019-09-06
最終更新日:2023-11-03
公開日:2021-09-08
識別子（ID）:(2~{S})-2-azanyl-6,6-bis(fluoranyl)-5-oxidanylidene-6-phosphono-hexanoic acid
QYR
QYR
表記:(4S)-6-chloro-2-(cyclopropanesulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C22 H20 Cl N3 O3 S
SMILES:O=S(=O)(C1CC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C22H20ClN3O3S/c23-16-6-5-15-12-26(30(28,29)17-7-8-17)13-20(19(15)9-16)22(27)25-21-11-24-10-14-3-1-2-4-18(14)21/h1-6,9-11,17,20H,7-8,12-13H2,(H,25,27)/t20-/m1/s1
定義日:2023-08-21
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-2-(cyclopropanesulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

224201

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