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22G
22G
表記:N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine
組成式:C18 H22 N2 O3
SMILES:O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccc(O)cc2
InChi:InChI=1S/C18H22N2O3/c19-15(10-13-4-2-1-3-5-13)12-20-17(18(22)23)11-14-6-8-16(21)9-7-14/h1-9,15,17,20-21H,10-12,19H2,(H,22,23)/t15-,17-/m0/s1
定義日:2013-08-23
最終更新日:2024-09-27
公開日:2014-01-15
識別子（ID）:N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine
DXU
DXU
表記:(3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl} -5-methyl-1,2-oxazolidine-4-carboxamide
組成式:C19 H25 Cl2 N3 O5 S
SMILES:O=C(NC(C=O)C1SC(C(N1)C(O)O)(C)C)C3C(c2c(Cl)cccc2Cl)NOC3C
InChi:InChI=1S/C19H25Cl2N3O5S/c1-8-12(14(24-29-8)13-9(20)5-4-6-10(13)21)16(26)22-11(7-25)17-23-15(18(27)28)19(2,3)30-17/h4-8,11-12,14-15,17-18,23-24,27-28H,1-3H3,(H,22,26)/t8-,11-,12+,14-,15+,17-/m1/s1
別名:dicloxacillin - open form
定義日:2014-08-25
最終更新日:2024-09-27
公開日:2014-09-17
識別子（ID）:(3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl}-5-methyl-1,2-oxazolidine-4-carboxamide
22Q
22Q
表記:(3Z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1H,3H)-dione
組成式:C9 H12 N2 O2 S
SMILES:O=C1C(=N/C(C(=O)N1)=CS)CC(C)C
InChi:InChI=1S/C9H12N2O2S/c1-5(2)3-6-8(12)11-9(13)7(4-14)10-6/h4-5,14H,3H2,1-2H3,(H,11,12,13)/b7-4-
定義日:2014-03-12
最終更新日:2024-09-27
公開日:2015-05-20
識別子（ID）:(3Z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1H,3H)-dione
DXX
DXX
表記:METHYLMALONIC ACID
組成式:C4 H6 O4
SMILES:O=C(O)C(C(=O)O)C
InChi:InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
定義日:1999-08-26
最終更新日:2024-09-27
識別子（ID）:methylpropanedioic acid
22W
22W
表記:2-[(1S,2S)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4H)-one
組成式:C9 H12 N2 O2 S
SMILES:S=C=C1/N=C(OC1=O)C(N)C(C)CC
InChi:InChI=1S/C9H12N2O2S/c1-3-5(2)7(10)8-11-6(4-14)9(12)13-8/h5,7H,3,10H2,1-2H3/t5-,7-/m0/s1
定義日:2014-03-12
最終更新日:2024-09-27
公開日:2015-05-20
識別子（ID）:2-[(1S,2S)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4H)-one
DYA
DYA
表記:DIDEHYDROASPARTATE
組成式:C4 H5 N O4
SMILES:NC(=CC(O)=O)C(O)=O
InChi:InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h1H,5H2,(H,6,7)(H,8,9)/b2-1-
定義日:2015-04-24
最終更新日:2024-09-27
公開日:2016-04-13
識別子（ID）:(Z)-2-azanylbut-2-enedioic acid
DYF
DYF
表記:[(3~{R})-2,2-dimethyl-4-[[3-[2-[[(~{E})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
組成式:C19 H36 N3 O8 P
SMILES:CCCCCC=CC(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
InChi:InChI=1S/C19H36N3O8P/c1-4-5-6-7-8-9-15(23)20-12-13-21-16(24)10-11-22-18(26)17(25)19(2,3)14-30-31(27,28)29/h8-9,17,25H,4-7,10-14H2,1-3H3,(H,20,23)(H,21,24)(H,22,26)(H2,27,28,29)/b9-8+/t17-/m0/s1
定義日:2019-09-19
最終更新日:2024-09-27
公開日:2020-05-06
識別子（ID）:[(3~{R})-2,2-dimethyl-4-[[3-[2-[[(~{E})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
DYG
DYG
表記:(3S)-3-amino-3-[(4Z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-imidazol-2-yl]propanoic acid
組成式:C15 H15 N3 O6
SMILES:O=C(O)CC(N)C1=N/C(C(=O)N1CC(=O)O)=Cc2ccc(O)cc2
InChi:InChI=1S/C15H15N3O6/c16-10(6-12(20)21)14-17-11(15(24)18(14)7-13(22)23)5-8-1-3-9(19)4-2-8/h1-5,10,19H,6-7,16H2,(H,20,21)(H,22,23)/b11-5-/t10-/m0/s1
別名:CHROMOPHORE (ASP-TYR-GLY)
定義日:2004-10-25
最終更新日:2024-09-27
識別子（ID）:(3S)-3-amino-3-{(4Z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}propanoic acid
DYJ
DYJ
表記:1-[(2E)-4-carboxy-4-oxobut-2-en-2-yl]-L-proline
組成式:C10 H13 N O5
SMILES:O=C(C1N(/C(C)=C/C(C(=O)O)=O)CCC1)O
InChi:InChI=1S/C10H13NO5/c1-6(5-8(12)10(15)16)11-4-2-3-7(11)9(13)14/h5,7H,2-4H2,1H3,(H,13,14)(H,15,16)/b6-5+/t7-/m0/s1
定義日:2017-11-16
最終更新日:2024-09-27
公開日:2017-11-22
識別子（ID）:1-[(2E)-4-carboxy-4-oxobut-2-en-2-yl]-L-proline
DYL
DYL
表記:(2R)-2-aminopent-4-enoic acid
組成式:C5 H9 N O2
SMILES:O=C(O)C(N)C/C=C
InChi:InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m1/s1
定義日:2013-12-20
最終更新日:2024-09-27
公開日:2015-01-21
識別子（ID）:(2R)-2-aminopent-4-enoic acid
23F
23F
表記:(2Z)-2-AMINO-3-PHENYLACRYLIC ACID
組成式:C9 H9 N O2
SMILES:O=C(O)C(/N)=C/c1ccccc1
InChi:InChI=1S/C9H9NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)/b8-6-
別名:DEHYDROPHENYLALANINE
定義日:2005-10-17
最終更新日:2024-09-27
識別子（ID）:(2Z)-2-amino-3-phenylprop-2-enoic acid
DYS
DYS
表記:S-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-L-cysteine
組成式:C11 H16 N2 O4 S
SMILES:O=C(O)C(N)CSc1cc(cc(O)c1O)CCN
InChi:InChI=1S/C11H16N2O4S/c12-2-1-6-3-8(14)10(15)9(4-6)18-5-7(13)11(16)17/h3-4,7,14-15H,1-2,5,12-13H2,(H,16,17)/t7-/m0/s1
定義日:2007-10-08
最終更新日:2024-09-27
識別子（ID）:S-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-L-cysteine
23P
23P
表記:3-(propanoylamino)-L-alanine
組成式:C6 H12 N2 O3
SMILES:O=C(NCC(N)C(=O)O)CC
InChi:InChI=1S/C6H12N2O3/c1-2-5(9)8-3-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1
定義日:2012-12-12
最終更新日:2024-09-27
公開日:2013-08-14
識別子（ID）:3-(propanoylamino)-L-alanine
DYW
DYW
表記:(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid
組成式:C9 H14 N2 O5
SMILES:N[CH](CC(O)=O)C(=O)N1CCC[CH]1C(O)=O
InChi:InChI=1S/C9H14N2O5/c10-5(4-7(12)13)8(14)11-3-1-2-6(11)9(15)16/h5-6H,1-4,10H2,(H,12,13)(H,15,16)/t5-,6-/m0/s1
定義日:2018-02-05
最終更新日:2024-09-27
公開日:2018-08-08
識別子（ID）:(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid
23S
23S
表記:(S)-2-AMINO-3-(6H-SELENOLO[2,3-B]-PYRROL-4-YL)-PROPIONIC ACID
組成式:C9 H10 N2 O2 Se
SMILES:O=C(O)C(N)Cc2c1cc[se]c1nc2
InChi:InChI=1S/C9H10N2O2Se/c10-7(9(12)13)3-5-4-11-8-6(5)1-2-14-8/h1-2,4,7,11H,3,10H2,(H,12,13)/t7-/m0/s1
定義日:2004-01-02
最終更新日:2024-09-27
識別子（ID）:3-(6H-selenopheno[2,3-b]pyrrol-4-yl)-L-alanine
MWU
MWU
表記:~{N}-pyridin-2-ylprop-2-enamide
組成式:C8 H8 N2 O
SMILES:C=CC(=O)Nc1ccccn1
InChi:InChI=1S/C8H8N2O/c1-2-8(11)10-7-5-3-4-6-9-7/h2-6H,1H2,(H,9,10,11)
定義日:2023-01-05
最終更新日:2024-09-27
公開日:2023-12-13
識別子（ID）:~{N}-pyridin-2-ylprop-2-enamide
MX1
MX1
表記:(2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO XYLIC ACID
組成式:C18 H18 N2 O10
SMILES:O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C(=O)O)C2N=C(C(=C)CO2)C(=O)O
InChi:InChI=1S/C18H18N2O10/c1-8-7-30-16(19-12(8)15(25)26)18(29-2,17(27)28)20-13(22)11(14(23)24)9-3-5-10(21)6-4-9/h3-6,11,16,21H,1,7H2,2H3,(H,20,22)(H,23,24)(H,25,26)(H,27,28)/t11-,16-,18-/m1/s1
別名:MOXALACTAM (HYDROLYZED)
定義日:2005-09-06
最終更新日:2024-09-27
識別子（ID）:(2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid
247
247
表記:(3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid
組成式:C9 H9 F2 N O3
SMILES:O=C(O)C(F)(F)C(N)c1ccc(O)cc1
InChi:InChI=1S/C9H9F2NO3/c10-9(11,8(14)15)7(12)5-1-3-6(13)4-2-5/h1-4,7,13H,12H2,(H,14,15)/t7-/m1/s1
定義日:2007-09-14
最終更新日:2024-09-27
識別子（ID）:(3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid
MX3
MX3
表記:(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACID
組成式:C14 H19 N3 O4
SMILES:O=C(O)CN(N)C(=O)CCC(=O)N(Cc1ccccc1)C
InChi:InChI=1S/C14H19N3O4/c1-16(9-11-5-3-2-4-6-11)12(18)7-8-13(19)17(15)10-14(20)21/h2-6H,7-10,15H2,1H3,(H,20,21)
別名:AZA-ASPARTATE-N-BENZYL-N-METHYL-ACRYLAMIDE
定義日:2005-09-29
最終更新日:2024-09-27
識別子（ID）:(1-{4-[benzyl(methyl)amino]-4-oxobutanoyl}hydrazino)acetic acid
MX4
MX4
表記:{1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
組成式:C13 H16 N2 O5
SMILES:O=C(O)CN(N)C(=O)CCC(=O)OCc1ccccc1
InChi:InChI=1S/C13H16N2O5/c14-15(8-12(17)18)11(16)6-7-13(19)20-9-10-4-2-1-3-5-10/h1-5H,6-9,14H2,(H,17,18)
定義日:2005-09-29
最終更新日:2024-09-27
識別子（ID）:{1-[4-(benzyloxy)-4-oxobutanoyl]hydrazino}acetic acid
MX5
MX5
表記:{1-[4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
組成式:C15 H19 N3 O4
SMILES:O=C(O)CN(N)C(=O)CCC(=O)N2c1ccccc1CCC2
InChi:InChI=1S/C15H19N3O4/c16-18(10-15(21)22)14(20)8-7-13(19)17-9-3-5-11-4-1-2-6-12(11)17/h1-2,4,6H,3,5,7-10,16H2,(H,21,22)
別名:{N-[(E)-4-(3,4-DIHYDRO-2H-QUINOLIN-1-YL)-4-OXO-BUT-2-ENOYL]-HYDRAZINO}-ACETIC ACID
定義日:2005-10-02
最終更新日:2024-09-27
識別子（ID）:{1-[4-(3,4-dihydroquinolin-1(2H)-yl)-4-oxobutanoyl]hydrazino}acetic acid
MX9
MX9
表記:(3-methylphenyl)methyl (3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate
組成式:C17 H15 N O4
SMILES:Cc1cccc(c1)COC(=O)c1cccc2c1NC(=O)C2O
InChi:InChI=1S/C17H15NO4/c1-10-4-2-5-11(8-10)9-22-17(21)13-7-3-6-12-14(13)18-16(20)15(12)19/h2-8,15,19H,9H2,1H3,(H,18,20)/t15-/m1/s1
定義日:2023-08-16
最終更新日:2024-09-27
公開日:2023-11-08
識別子（ID）:(3-methylphenyl)methyl (3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate
MXC
MXC
表記:(2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid
組成式:C16 H18 N4 O8 S
SMILES:O=C(OCC(S(=O)O)(C)C(C(=O)O)Nc2c(cc1cc(ccn12)C(=O)N)C=O)N
InChi:InChI=1S/C16H18N4O8S/c1-16(29(26)27,7-28-15(18)25)11(14(23)24)19-13-9(6-21)5-10-4-8(12(17)22)2-3-20(10)13/h2-6,11,19H,7H2,1H3,(H2,17,22)(H2,18,25)(H,23,24)(H,26,27)/t11-,16-/m0/s1
定義日:2009-01-28
最終更新日:2024-09-27
識別子（ID）:(3R)-N-(7-carbamoyl-2-formylindolizin-3-yl)-4-(carbamoyloxy)-3-sulfino-D-valine
24M
24M
表記:(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid
組成式:C12 H23 N O3
SMILES:O=C(O)C1CCCC1C(O)C(N)CC(C)C
InChi:InChI=1S/C12H23NO3/c1-7(2)6-10(13)11(14)8-4-3-5-9(8)12(15)16/h7-11,14H,3-6,13H2,1-2H3,(H,15,16)/t8-,9-,10+,11+/m1/s1
定義日:2011-02-15
最終更新日:2024-09-27
識別子（ID）:(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid
24N
24N
表記:1-[(3~{R})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
組成式:C23 H25 F2 N9 O
SMILES:CCC(=O)N1CCC[CH](C1)n2nc(c3cn(CC(F)(F)c4ccccc4)nn3)c5c(N)ncnc25
InChi:InChI=1S/C23H25F2N9O/c1-2-18(35)32-10-6-9-16(11-32)34-22-19(21(26)27-14-28-22)20(30-34)17-12-33(31-29-17)13-23(24,25)15-7-4-3-5-8-15/h3-5,7-8,12,14,16H,2,6,9-11,13H2,1H3,(H2,26,27,28)/t16-/m1/s1
定義日:2021-06-15
最終更新日:2024-09-27
公開日:2022-07-20
識別子（ID）:1-[(3~{R})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one

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