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UVZ
UVZ
表記:4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde
組成式:C16 H14 Cl N O3 S
SMILES:Clc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:InChI=1S/C16H14ClNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2
定義日:2021-03-23
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde
3S2
3S2
表記:[(2S,3R)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid
組成式:C11 H22 N4 O5 S
SMILES:O=C(NCCCCNC)N1C(C=O)C(NS(=O)(=O)O)CC1
InChi:InChI=1S/C11H22N4O5S/c1-12-5-2-3-6-13-11(17)15-7-4-9(10(15)8-16)14-21(18,19)20/h8-10,12,14H,2-7H2,1H3,(H,13,17)(H,18,19,20)/t9-,10-/m1/s1
定義日:2011-05-17
最終更新日:2024-09-27
識別子（ID）:[(2S,3R)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid
UWH
UWH
表記:4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde
組成式:C14 H20 N2 O4 S
SMILES:COCCN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:InChI=1S/C14H20N2O4S/c1-20-11-10-15-6-8-16(9-7-15)21(18,19)14-4-2-13(12-17)3-5-14/h2-5,12H,6-11H2,1H3
定義日:2021-03-23
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde
UWK
UWK
表記:4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde
組成式:C13 H17 N O4 S
SMILES:CO[CH]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:InChI=1S/C13H17NO4S/c1-18-12-3-2-8-14(9-12)19(16,17)13-6-4-11(10-15)5-7-13/h4-7,10,12H,2-3,8-9H2,1H3/t12-/m1/s1
定義日:2021-03-24
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde
UWO
UWO
表記:methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate
組成式:C24 H21 F3 N2 O4
SMILES:COC(=O)c1ccc2N([CH](c3ccc(cc3)C(F)(F)F)C4=C(CCCC4=O)Nc2c1)C(C)=O
InChi:InChI=1S/C24H21F3N2O4/c1-13(30)29-19-11-8-15(23(32)33-2)12-18(19)28-17-4-3-5-20(31)21(17)22(29)14-6-9-16(10-7-14)24(25,26)27/h6-12,22,28H,3-5H2,1-2H3/t22-/m1/s1
定義日:2023-06-23
最終更新日:2024-09-27
公開日:2023-08-16
識別子（ID）:methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate
UWQ
UWQ
表記:4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde
組成式:C13 H17 N O4 S
SMILES:COC1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:InChI=1S/C13H17NO4S/c1-18-12-6-8-14(9-7-12)19(16,17)13-4-2-11(10-15)3-5-13/h2-5,10,12H,6-9H2,1H3
定義日:2021-03-24
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde
UX8
UX8
表記:(2~{S},3~{R})-2-azanyl-3-(1~{H}-indol-3-yl)-3-oxidanyl-propanoic acid
組成式:C11 H12 N2 O3
SMILES:N[CH]([CH](O)c1c[nH]c2ccccc12)C(O)=O
InChi:InChI=1S/C11H12N2O3/c12-9(11(15)16)10(14)7-5-13-8-4-2-1-3-6(7)8/h1-5,9-10,13-14H,12H2,(H,15,16)/t9-,10+/m0/s1
定義日:2021-03-25
最終更新日:2024-09-27
公開日:2021-04-21
識別子（ID）:(2~{S},3~{R})-2-azanyl-3-(1~{H}-indol-3-yl)-3-oxidanyl-propanoic acid
UXQ
UXQ
表記:(2S)-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid
組成式:C12 H15 Cl N2 O3
SMILES:N[CH](Cc1ccc(CNC(=O)CCl)cc1)C(O)=O
InChi:InChI=1S/C12H15ClN2O3/c13-6-11(16)15-7-9-3-1-8(2-4-9)5-10(14)12(17)18/h1-4,10H,5-7,14H2,(H,15,16)(H,17,18)/t10-/m0/s1
定義日:2021-03-26
最終更新日:2024-09-27
公開日:2021-10-13
識別子（ID）:(2~{S})-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid
3TR
3TR
表記:3-AMINO-1,2,4-TRIAZOLE
組成式:C2 H4 N4
SMILES:n1c(nnc1)N
InChi:InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
別名:AMITROLE
定義日:2004-06-09
最終更新日:2024-09-27
識別子（ID）:1H-1,2,4-triazol-3-amine
UXS
UXS
表記:(2S)-2-amino-4-(methylsulfanyl)butan-1-ol
組成式:C5 H13 N O S
SMILES:C(C(N)CCSC)O
InChi:InChI=1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1
定義日:2020-06-04
最終更新日:2024-09-27
公開日:2020-06-17
識別子（ID）:(2S)-2-amino-4-(methylsulfanyl)butan-1-ol
UXY
UXY
表記:(4R)-4-hydroxy-L-lysine
組成式:C6 H14 N2 O3
SMILES:NC(C(O)=O)CC(CCN)O
InChi:InChI=1S/C6H14N2O3/c7-2-1-4(9)3-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1
定義日:2020-06-04
最終更新日:2024-09-27
公開日:2020-10-07
識別子（ID）:(4R)-4-hydroxy-L-lysine
3TY
3TY
表記:3-[(3E)-3-(BENZYLHYDRAZONO)-4-HYDROXY-6-OXOCYCLOHEXA-1,4-DIEN-1-YL]-L-ALANINE
組成式:C16 H17 N3 O4
SMILES:O=C2C=C(O)/C(=N/NCc1ccccc1)C=C2CC(C(=O)O)N
InChi:InChI=1S/C16H17N3O4/c17-12(16(22)23)6-11-7-13(15(21)8-14(11)20)19-18-9-10-4-2-1-3-5-10/h1-5,7-8,12,18,21H,6,9,17H2,(H,22,23)/b19-13+/t12-/m0/s1
定義日:2004-08-11
最終更新日:2024-09-27
識別子（ID）:3-[(3E)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine
3U0
3U0
表記:2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid
組成式:C10 H13 N3 O2
SMILES:NC(=N)NCc1ccc(CC(O)=O)cc1
InChi:InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-7(2-4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13)
別名:2-[4-[(diaminomethylideneamino)methyl]phenyl]acetic acid
定義日:2014-10-24
最終更新日:2024-09-27
公開日:2022-10-19
識別子（ID）:2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid
3U2
3U2
表記:N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide
組成式:C14 H19 N O4
SMILES:O=C(NC1C(C(O)C(O)C(O)C1)C)c2ccccc2
InChi:InChI=1S/C14H19NO4/c1-8-10(7-11(16)13(18)12(8)17)15-14(19)9-5-3-2-4-6-9/h2-6,8,10-13,16-18H,7H2,1H3,(H,15,19)/t8-,10+,11-,12-,13+/m1/s1
定義日:2014-10-29
最終更新日:2024-09-27
公開日:2014-11-12
識別子（ID）:N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide
3U3
3U3
表記:N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide
組成式:C9 H17 N O4
SMILES:O=C(NC1C(C(O)C(O)C(O)C1)C)C
InChi:InChI=1S/C9H17NO4/c1-4-6(10-5(2)11)3-7(12)9(14)8(4)13/h4,6-9,12-14H,3H2,1-2H3,(H,10,11)/t4-,6+,7-,8-,9+/m1/s1
定義日:2014-10-29
最終更新日:2024-09-27
公開日:2014-11-05
識別子（ID）:N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide
UY7
UY7
表記:(4S)-4-hydroxy-D-proline
組成式:C5 H9 N O3
SMILES:C1C(O)CNC1C(O)=O
InChi:InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1
定義日:2020-06-04
最終更新日:2024-09-27
公開日:2020-12-30
識別子（ID）:(4S)-4-hydroxy-D-proline
3U7
3U7
表記:4-{2,3-dichloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid
組成式:C16 H16 Cl2 N2 O4
SMILES:O=C(c1ccc(OCCCC(=O)O)c(Cl)c1Cl)CCc2nccn2
InChi:InChI=1S/C16H16Cl2N2O4/c17-15-10(11(21)4-6-13-19-7-8-20-13)3-5-12(16(15)18)24-9-1-2-14(22)23/h3,5,7-8H,1-2,4,6,9H2,(H,19,20)(H,22,23)
定義日:2014-10-30
最終更新日:2024-09-27
公開日:2015-05-20
識別子（ID）:4-{2,3-dichloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid
UYA
UYA
表記:(4R)-4-hydroxy-D-proline
組成式:C5 H9 N O3
SMILES:N1CC(CC1C(O)=O)O
InChi:InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1
定義日:2020-06-04
最終更新日:2024-09-27
公開日:2020-12-30
識別子（ID）:(4R)-4-hydroxy-D-proline
3U8
3U8
表記:4-{2-chloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid
組成式:C16 H17 Cl N2 O4
SMILES:O=C(c1ccc(OCCCC(=O)O)c(Cl)c1)CCc2nccn2
InChi:InChI=1S/C16H17ClN2O4/c17-12-10-11(13(20)4-6-15-18-7-8-19-15)3-5-14(12)23-9-1-2-16(21)22/h3,5,7-8,10H,1-2,4,6,9H2,(H,18,19)(H,21,22)
定義日:2014-10-30
最終更新日:2024-09-27
公開日:2015-05-20
識別子（ID）:4-{2-chloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid
3UB
3UB
表記:propan-2-yl hydrogen (S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate
組成式:C13 H20 N O5 P
SMILES:O=P(OC(C)C)(O)C(NC(=O)OCc1ccccc1)C
InChi:InChI=1S/C13H20NO5P/c1-10(2)19-20(16,17)11(3)14-13(15)18-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)(H,16,17)/t11-/m1/s1
定義日:2011-10-31
最終更新日:2024-09-27
識別子（ID）:propan-2-yl hydrogen (S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate
3UM
3UM
表記:(5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid
組成式:C20 H30 O4
SMILES:O=C(O)C3(C)C2(O)C(C1CC=C(/C=C)C(C1CC2O)C)(C)CCC3
InChi:InChI=1S/C20H30O4/c1-5-13-7-8-15-14(12(13)2)11-16(21)20(24)18(15,3)9-6-10-19(20,4)17(22)23/h5,7,12,14-16,21,24H,1,6,8-11H2,2-4H3,(H,22,23)/t12-,14-,15-,16+,18+,19+,20-/m0/s1
定義日:2014-11-05
最終更新日:2024-09-27
公開日:2015-01-14
識別子（ID）:(5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid
UZ1
UZ1
表記:cyclopropanamine
組成式:C3 H7 N
SMILES:NC1CC1
InChi:InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2
定義日:2020-06-08
最終更新日:2024-09-27
公開日:2020-06-17
識別子（ID）:cyclopropanamine
UZ4
UZ4
表記:(2R,3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanoic acid
組成式:C8 H14 N2 O4
SMILES:NC(C(O)C(O)=O)CC1CCNC1=O
InChi:InChI=1S/C8H14N2O4/c9-5(6(11)8(13)14)3-4-1-2-10-7(4)12/h4-6,11H,1-3,9H2,(H,10,12)(H,13,14)/t4-,5-,6+/m0/s1
定義日:2020-06-08
最終更新日:2024-09-27
公開日:2020-06-17
識別子（ID）:(2R,3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanoic acid
69P
69P
表記:6-piperazin-1-yl-9H-purine
組成式:C9 H12 N6
SMILES:n2cnc1c(ncn1)c2N3CCNCC3
InChi:InChI=1S/C9H12N6/c1-3-15(4-2-10-1)9-7-8(12-5-11-7)13-6-14-9/h5-6,10H,1-4H2,(H,11,12,13,14)
定義日:2010-05-26
最終更新日:2024-09-27
識別子（ID）:6-(piperazin-1-yl)-9H-purine
UZ7
UZ7
表記:phenyl hydrogen carbonate
組成式:C7 H6 O3
SMILES:c1cc(ccc1)OC(O)=O
InChi:InChI=1S/C7H6O3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H,8,9)
定義日:2020-06-08
最終更新日:2024-09-27
公開日:2020-06-17
識別子（ID）:phenyl hydrogen carbonate

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