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OMC
OMC
表記:O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE
組成式:C10 H16 N3 O8 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2OC)COP(=O)(O)O
InChi:InChI=1S/C10H16N3O8P/c1-19-8-7(14)5(4-20-22(16,17)18)21-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2'-O-methylcytidine 5'-(dihydrogen phosphate)
2P2
2P2
表記:1-[(2R,5S)-2-tert-butyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
組成式:C25 H38 N2 O4
SMILES:O=C(N2C(C(=O)N1C(C(O)CO)CCC1)CCC2C(C)(C)C)CCCc3ccccc3
InChi:InChI=1S/C25H38N2O4/c1-25(2,3)22-15-14-20(24(31)26-16-8-12-19(26)21(29)17-28)27(22)23(30)13-7-11-18-9-5-4-6-10-18/h4-6,9-10,19-22,28-29H,7-8,11-17H2,1-3H3/t19-,20-,21-,22+/m0/s1
定義日:2012-03-15
最終更新日:2024-09-27
識別子（ID）:(1R)-1-{(2S)-1-[(5R)-5-tert-butyl-1-(4-phenylbutanoyl)-L-prolyl]pyrrolidin-2-yl}ethane-1,2-diol
2P3
2P3
表記:5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
組成式:C10 H9 N3 O2 S
SMILES:S=C1NN=C(N1)C2Oc3ccccc3OC2
InChi:InChI=1S/C10H9N3O2S/c16-10-11-9(12-13-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H2,11,12,13,16)/t8-/m1/s1
定義日:2013-12-23
最終更新日:2024-09-27
公開日:2014-08-20
識別子（ID）:5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
2P4
2P4
表記:(5R)-N-benzyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide
組成式:C20 H26 N2 O4
SMILES:O=C(N1C(C(O)CO)CCC1)C3C(C(=O)NCc2ccccc2)=CCC3
InChi:InChI=1S/C20H26N2O4/c23-13-18(24)17-10-5-11-22(17)20(26)16-9-4-8-15(16)19(25)21-12-14-6-2-1-3-7-14/h1-3,6-8,16-18,23-24H,4-5,9-13H2,(H,21,25)/t16-,17+,18+/m1/s1
定義日:2012-03-15
最終更新日:2024-09-27
識別子（ID）:(5R)-N-benzyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide
OMG
OMG
表記:O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE
組成式:C11 H16 N5 O8 P
SMILES:O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3OC)COP(=O)(O)O
InChi:InChI=1S/C11H16N5O8P/c1-22-7-6(17)4(2-23-25(19,20)21)24-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2'-O-methylguanosine 5'-(dihydrogen phosphate)
2P6
2P6
表記:(2S)-1-[1-(4-phenylbutanoyl)-L-prolyl]pyrrolidine-2-carbonitrile
組成式:C20 H25 N3 O2
SMILES:O=C(N1C(C#N)CCC1)C3N(C(=O)CCCc2ccccc2)CCC3
InChi:InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1
定義日:2012-03-15
最終更新日:2024-09-27
識別子（ID）:(2S)-1-[1-(4-phenylbutanoyl)-L-prolyl]pyrrolidine-2-carbonitrile
2P8
2P8
表記:(2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide
組成式:C19 H27 N3 O4
SMILES:O=C(N1C(C(O)CO)CCC1)C3N(C(=O)NCc2ccccc2)CCC3
InChi:InChI=1S/C19H27N3O4/c23-13-17(24)15-8-4-10-21(15)18(25)16-9-5-11-22(16)19(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-17,23-24H,4-5,8-13H2,(H,20,26)/t15-,16-,17-/m0/s1
定義日:2012-03-15
最終更新日:2024-09-27
識別子（ID）:(2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide
OMU
OMU
表記:O2'-METHYLURIDINE 5'-MONOPHOSPHATE
組成式:C10 H15 N2 O9 P
SMILES:O=C1NC(=O)N(C=C1)C2OC(C(O)C2OC)COP(=O)(O)O
InChi:InChI=1S/C10H15N2O9P/c1-19-8-7(14)5(4-20-22(16,17)18)21-9(8)12-3-2-6(13)11-10(12)15/h2-3,5,7-9,14H,4H2,1H3,(H,11,13,15)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2'-O-methyluridine 5'-(dihydrogen phosphate)
OMX
OMX
表記:(betaR)-beta-hydroxy-L-Tyrosine
組成式:C9 H11 N O4
SMILES:O=C(O)C(N)C(O)c1ccc(O)cc1
InChi:InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m0/s1
定義日:2010-08-10
最終更新日:2024-09-27
識別子（ID）:(betaR)-beta-hydroxy-L-tyrosine
OMY
OMY
表記:(betaR)-3-chloro-beta-hydroxy-L-tyrosine
組成式:C9 H10 Cl N O4
SMILES:Clc1cc(ccc1O)C(O)C(C(=O)O)N
InChi:InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8+/m0/s1
定義日:2009-03-27
最終更新日:2024-09-27
識別子（ID）:(betaR)-3-chloro-beta-hydroxy-L-tyrosine
OMZ
OMZ
表記:(betaR)-3-CHLORO-BETA-HYDROXY-D-TYROSINE
組成式:C9 H10 Cl N O4
SMILES:Clc1cc(ccc1O)C(O)C(C(=O)O)N
InChi:InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8-/m1/s1
定義日:2010-08-06
最終更新日:2024-09-27
識別子（ID）:(betaR)-3-chloro-beta-hydroxy-D-tyrosine
2Q7
2Q7
表記:N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide
組成式:C27 H35 F2 N11 O4
SMILES:C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1
InChi:InChI=1S/C27H35F2N11O4/c1-2-19(41)37-5-3-17(4-6-37)24(43)31-16-20(42)38-7-9-39(10-8-38)26-34-23(18-15-32-25(30)33-21(18)22(28)29)35-27(36-26)40-11-13-44-14-12-40/h2,15,17,22H,1,3-14,16H2,(H,31,43)(H2,30,32,33)
定義日:2021-06-30
最終更新日:2024-09-27
公開日:2022-04-06
識別子（ID）:N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide
ONK
ONK
表記:N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide
組成式:C27 H50 N4 O5
SMILES:O=C(NC(CC(C)C)C(O)C(=C)C)C(NC(=O)C(NC(=O)CCCCC)C(C)C)CCC(=O)N(C)C
InChi:InChI=1S/C27H50N4O5/c1-10-11-12-13-22(32)30-24(18(4)5)27(36)28-20(14-15-23(33)31(8)9)26(35)29-21(16-17(2)3)25(34)19(6)7/h17-18,20-21,24-25,34H,6,10-16H2,1-5,7-9H3,(H,28,36)(H,29,35)(H,30,32)/t20-,21-,24-,25-/m0/s1
別名:vinylketone carmaphycin analogue VNK1, single bound form
定義日:2012-11-01
最終更新日:2024-09-27
公開日:2014-01-29
識別子（ID）:N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide
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:2024-09-27
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:2024-09-27
公開日:2014-04-02
識別子（ID）:(betaR)-beta-hydroxy-O-methyl-L-tyrosine
2RG
2RG
表記:(2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid
組成式:C22 H27 N3 O7 S
SMILES:O=C(O)c1cc(ccc1)NC(=O)C3NCC(SC2C(=NC(C2C)C(C=O)C(O)C)C(=O)O)C3
InChi:InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-17,19,23,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14+,15-,16+,17-,19+/m1/s1
別名:ERTAPENEM, bound form POST-ISOMERIZED
定義日:2010-04-07
最終更新日:2024-09-27
識別子（ID）:(2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid
2RI
2RI
表記:(2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide
組成式:C30 H26 F N3 O4
SMILES:C[CH](O)C(=O)N([CH](C(=O)N[CH](C)c1ccc(F)cc1)c2cccnc2)c3ccc4c(oc5ccccc45)c3
InChi:InChI=1S/C30H26FN3O4/c1-18(20-9-11-22(31)12-10-20)33-29(36)28(21-6-5-15-32-17-21)34(30(37)19(2)35)23-13-14-25-24-7-3-4-8-26(24)38-27(25)16-23/h3-19,28,35H,1-2H3,(H,33,36)/t18-,19+,28+/m0/s1
定義日:2021-07-09
最終更新日:2024-09-27
公開日:2021-07-21
識別子（ID）:(2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide
OP0
OP0
表記:(2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
組成式:C9 H18 N4 O7 S
SMILES:O=CN1C(C(=O)NOCCN)CCC(NOS(=O)(=O)O)C1
InChi:InChI=1S/C9H18N4O7S/c10-3-4-19-12-9(15)8-2-1-7(5-13(8)6-14)11-20-21(16,17)18/h6-8,11H,1-5,10H2,(H,12,15)(H,16,17,18)/t7-,8+/m1/s1
定義日:2014-12-09
最終更新日:2024-09-27
公開日:2015-07-01
識別子（ID）:(2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
OPP
OPP
表記:1-[PYRROL-1-YL-2,5-DIONE-METHOXYMETHYL]-PYRROLE-2,5-DIONE
組成式:C10 H8 N2 O5
SMILES:O=C1N(C(=O)C=C1)COCN2C(=O)C=CC2=O
InChi:InChI=1S/C10H8N2O5/c13-7-1-2-8(14)11(7)5-17-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2
定義日:2001-09-06
最終更新日:2024-09-27
識別子（ID）:1,1'-(oxydimethanediyl)bis(1H-pyrrole-2,5-dione)
OPR
OPR
表記:(5S)-5-amino-8-carbamimidamido-4-oxooctanoic acid
組成式:C9 H18 N4 O3
SMILES:O=C(C(N)CCCNC(=[N@H])N)CCC(=O)O
InChi:InChI=1S/C9H18N4O3/c10-6(2-1-5-13-9(11)12)7(14)3-4-8(15)16/h6H,1-5,10H2,(H,15,16)(H4,11,12,13)/t6-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(5S)-5-amino-8-carbamimidamido-4-oxooctanoic acid
OQ2
OQ2
表記:~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
組成式:C33 H40 F3 N7 O3
SMILES:CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)cc2C(F)(F)F
InChi:InChI=1S/C33H40F3N7O3/c1-4-30(44)43-13-11-26(21-43)39-32-37-12-10-29(40-32)46-28-18-23(7-6-22(28)3)31(45)38-25-9-8-24(27(19-25)33(34,35)36)20-42-16-14-41(5-2)15-17-42/h6-10,12,18-19,26H,4-5,11,13-17,20-21H2,1-3H3,(H,38,45)(H,37,39,40)/t26-/m1/s1
定義日:2020-03-27
最終更新日:2024-09-27
公開日:2020-08-12
識別子（ID）:~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
2SO
2SO
表記:3-{3-[(3R)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1H-imidazol-3-ium-5-yl}-L-alanine
組成式:C24 H38 N3 O4
SMILES:O=C(O)C(N)Cc1c[n+](cn1CCCCCCCCc2ccccc2)CCC(O)CO
InChi:InChI=1S/C24H37N3O4/c25-23(24(30)31)16-21-17-26(15-13-22(29)18-28)19-27(21)14-9-4-2-1-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-12,17,19,22-23,28-29H,1-4,6,9-10,13-16,18,25H2/p+1/t22-,23+/m1/s1
定義日:2014-01-23
最終更新日:2024-09-27
公開日:2014-01-29
識別子（ID）:3-{3-[(3R)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1H-imidazol-3-ium-5-yl}-L-alanine
OQ8
OQ8
表記:~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
組成式:C33 H40 F3 N7 O3
SMILES:CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)cc2C(F)(F)F
InChi:InChI=1S/C33H40F3N7O3/c1-4-30(44)43-13-11-26(21-43)39-32-37-12-10-29(40-32)46-28-18-23(7-6-22(28)3)31(45)38-25-9-8-24(27(19-25)33(34,35)36)20-42-16-14-41(5-2)15-17-42/h6-10,12,18-19,26H,4-5,11,13-17,20-21H2,1-3H3,(H,38,45)(H,37,39,40)/t26-/m0/s1
定義日:2020-03-27
最終更新日:2024-09-27
公開日:2020-08-12
識別子（ID）:~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
OQB
OQB
表記:4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-PYRIDINE-3-CARBONYL)-AMINO]-BUTYRIC ACID
組成式:C26 H22 N6 O5
SMILES:O=C(O)CC(C=O)NC(=O)c1cnc(cc1)CNC(=O)c4ccc(Nc2nc3c(nc2)cccc3)cc4
InChi:InChI=1S/C26H22N6O5/c33-15-20(11-24(34)35)31-26(37)17-7-10-19(27-12-17)13-29-25(36)16-5-8-18(9-6-16)30-23-14-28-21-3-1-2-4-22(21)32-23/h1-10,12,14-15,20H,11,13H2,(H,29,36)(H,30,32)(H,31,37)(H,34,35)/t20-/m0/s1
定義日:2004-01-09
最終更新日:2024-09-27
識別子（ID）:(3S)-4-oxo-3-[({6-[({[4-(quinoxalin-2-ylamino)phenyl]carbonyl}amino)methyl]pyridin-3-yl}carbonyl)amino]butanoic acid
OR7
OR7
表記:2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide
組成式:C12 H16 Cl2 N2 O4 S
SMILES:C(C(Nc1ccc(Cl)c(c1)S(=O)(=O)N(C)CCOC)=O)Cl
InChi:InChI=1S/C12H16Cl2N2O4S/c1-16(5-6-20-2)21(18,19)11-7-9(3-4-10(11)14)15-12(17)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,17)
定義日:2019-07-03
最終更新日:2024-09-27
公開日:2019-07-24
識別子（ID）:2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide

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件を2024-10-09に公開中

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