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TCW
TCW
表記:Tolcapone
組成式:C14 H11 N O5
SMILES:[O-][N+](=O)c2cc(C(=O)c1ccc(cc1)C)cc(O)c2O
InChi:InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
別名:(3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone
定義日:2011-06-09
最終更新日:2021-03-13
識別子（ID）:(3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone
3ON
3ON
表記:(3R)-3-HYDROXY-8'-APOCAROTENOL
組成式:C30 H42 O2
SMILES:OC1CC(=C(C=CC(=CC=CC(=C/C=C/C=C(C=CC=C(/C)CO)C)C)C)C(C)(C)C1)C
InChi:InChI=1S/C30H42O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,28,31-32H,20-22H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12-,24-13-,25-16+,26-17+/t28-/m1/s1
別名:(1R)-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E)-17-HYDROXY-3,7,12,16-TETRAMETHYLHEPTADECA-1,3,5,7,9,11,13,15-OCTAEN-1-YL]-3,5,5-TRIMETHYLCYCLOHEX-3-EN-1-OL
定義日:2005-01-26
最終更新日:2021-03-13
識別子（ID）:(1R)-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E)-17-hydroxy-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol
TDI
TDI
表記:(3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL
組成式:C13 H19 N5 O S
SMILES:S(C)CC3CN(Cc2cnc1c2ncnc1N)CC3O
InChi:InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
別名:(3R,4S)-1-[9-DEAZAADENIN-9-YL)METHYL]-3-HYDROXY-4-(METHYLTHIOMETHYL)PYRROLIDINE
定義日:2004-12-13
最終更新日:2021-03-13
識別子（ID）:(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol
3P4
3P4
表記:5-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN-3-YL]-3-ETHYL-2-(1-ETHYLAZETIDIN-3-YL)-1,2,6,7A-TETRAHYDRO-7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE
組成式:C23 H29 N6 O3
SMILES:O=C2c3n[n+](c(c3N=C(c1cc(C(O)=C)cnc1OCCC=C)N2)CC)C4CN(CC)C4
InChi:InChI=1S/C23H28N6O3/c1-5-8-9-32-23-17(10-15(11-24-23)14(4)30)21-25-19-18(6-2)29(16-12-28(7-3)13-16)27-20(19)22(31)26-21/h5,10-11,16H,1,4,6-9,12-13H2,2-3H3,(H2,25,26,30,31)/p+1
別名:5-(5-ACETYL-2-BUTOXY-3-PYRIDINYL)-3-ETHYL-2-(1-ETHYL-3-AZETIDINYL)-2,6-DIHYDRO-7H-PYRAZOLO (4,3-D) PYRIMIDIN-7-ONE
定義日:2006-03-15
最終更新日:2021-03-13
識別子（ID）:5-[2-(but-3-en-1-yloxy)-5-(1-hydroxyethenyl)pyridin-3-yl]-3-ethyl-2-(1-ethylazetidin-3-yl)-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-2-ium
3PJ
3PJ
表記:N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
組成式:C28 H33 F3 N2 O3
SMILES:FC(F)(F)C(O)(c1ccc(cc1)C(=O)N(C2CC2)C4CCC(c3ccccc3)(CC4)CCC(=O)N)C
InChi:InChI=1S/C28H33F3N2O3/c1-26(36,28(29,30)31)20-9-7-19(8-10-20)25(35)33(22-11-12-22)23-13-16-27(17-14-23,18-15-24(32)34)21-5-3-2-4-6-21/h2-10,22-23,36H,11-18H2,1H3,(H2,32,34)/t23-,26-,27-/m0/s1
別名:N-((1r,4S)-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl)-N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
定義日:2010-10-29
最終更新日:2021-03-13
識別子（ID）:N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
TEL
TEL
表記:TELITHROMYCIN
組成式:C43 H65 N5 O10
SMILES:CC12C(CC)OC(C(C)C(=O)C(C)C(C(CC(C(C(C1N(C(O2)=O)CCCCn3cnc(c3)c4cccnc4)C)=O)C)(OC)C)OC5C(C(N(C)C)CC(O5)C)O)=O
InChi:InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1
別名:(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-1-{4-[4-(pyridin-3-yl)-1H-imidazol-1-yl]butyl}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
定義日:2003-05-14
最終更新日:2021-03-13
識別子（ID）:(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-1-{4-[4-(pyridin-3-yl)-1H-imidazol-1-yl]butyl}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
TGC
TGC
表記:3-thiaglutaryl-CoA
組成式:C25 H40 N7 O19 P3 S2
SMILES:O=C(O)CSCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:InChI=1S/C25H40N7O19P3S2/c1-25(2,20(38)23(39)28-4-3-14(33)27-5-6-56-16(36)9-55-8-15(34)35)10-48-54(45,46)51-53(43,44)47-7-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t13-,18-,19-,20+,24-/m1/s1
別名:(3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18,21-dithia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide
定義日:2007-09-14
最終更新日:2021-03-13
識別子（ID）:(3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18,21-dithia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name)
TH2
TH2
表記:TESTOSTERONE HEMISUCCINATE
組成式:C23 H32 O5
SMILES:O=C(O)CCC(=O)OC2CCC1C4C(CCC12C)C3(C(=CC(=O)CC3)CC4)C
InChi:InChI=1S/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16-,17-,18-,19-,22-,23-/m0/s1
別名:4-OXO-4-{[(8ALPHA,9BETA,10ALPHA,13ALPHA,14BETA,17ALPHA)-3-OXOANDROST-4-EN-17-YL]OXY}BUTANOIC ACID
定義日:2006-01-06
最終更新日:2021-03-13
識別子（ID）:4-oxo-4-{[(8alpha,10alpha,13alpha,14beta,17alpha)-3-oxoandrost-4-en-17-yl]oxy}butanoic acid
3T3
3T3
表記:[(amino-kappaN)methanethiolato](3-fluoro-9-hydroxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium
組成式:C24 H22 F N4 O3 Ru S4
SMILES:O=C1c3c(C(=O)N1)c2cc(F)cn9c2c5c3c4cc(O)ccc4n5[Ru]798(NCS)S6CCS8CCS7CC6
InChi:InChI=1S/C17H8FN3O3.C6H12S3.CH4NS.Ru/c18-6-3-9-12-13(17(24)21-16(12)23)11-8-4-7(22)1-2-10(8)20-15(11)14(9)19-5-6
別名:(3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato)(1,4,7-trithiacyclodecan)ruthenium(II)-isothiocyanate
定義日:2014-12-21
最終更新日:2021-03-13
公開日:2015-01-21
識別子（ID）:[(amino-kappaN)methanethiolato](3-fluoro-9-hydroxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium
3TL
3TL
表記:benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
組成式:C50 H64 N6 O10
SMILES:O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(Cc2ccccc2)C(O)C(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc3ccccc3)C)C(C)C)Cc4ccccc4)C(C)C)C
InChi:InChI=1S/C50H64N6O10/c1-31(2)41(55-45(59)33(5)51-49(63)65-29-37-23-15-9-16-24-37)47(61)53-39(27-35-19-11-7-12-20-35)43(57)44(58)40(28-36-21-13-8-14-22-36)54-48(62)42(32(3)4)56-46(60)34(6)52-50(64)66-30-38-25-17-10-18-26-38/h7-26,31-34,39-44,57-58H,27-30H2,1-6H3,(H,51,63)(H,52,64)(H,53,61)(H,54,62)(H,55,59)(H,56,60)/t33-,34-,39-,40-,41-,42-,43+,44+/m0/s1
別名:TL-3, C2 symmetric inhibitor
定義日:2007-03-26
最終更新日:2021-03-13
識別子（ID）:benzyl [(5S,8S,11S,12R,13R,14S,17S,20S)-11,14-dibenzyl-12,13-dihydroxy-5-methyl-3,6,9,16,19-pentaoxo-1-phenyl-8,17-di(propan-2-yl)-2-oxa-4,7,10,15,18-pentaazahenicosan-20-yl]carbamate (non-preferred name)
TL1
TL1
表記:2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL
組成式:C20 H22 N4 O4
SMILES:O(c1cc(C(=[N@H])N)ccc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3
InChi:InChI=1S/C20H22N4O4/c21-19(22)11-3-1-5-13(7-11)27-15-9-25-18-16(10-26-17(15)18)28-14-6-2-4-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1
別名:2,5-O,O-BIS-(3',3"-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL
定義日:2004-12-08
最終更新日:2021-03-13
識別子（ID）:1,4:3,6-dianhydro-2,5-bis-O-(3-carbamimidoylphenyl)-D-glucitol
BHQ
BHQ
表記:2,5-DITERT-BUTYLBENZENE-1,4-DIOL
組成式:C14 H22 O2
SMILES:Oc1cc(c(O)cc1C(C)(C)C)C(C)(C)C
InChi:InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3
別名:2,5-DI-(TERT-BUTYL)-1,4,BENZOHYDROQUINONE
定義日:2005-07-29
最終更新日:2021-03-13
識別子（ID）:2,5-di-tert-butylbenzene-1,4-diol
BHY
BHY
表記:N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dimethanesulfonamide
組成式:C20 H28 N2 O4 S2
SMILES:O=S(=O)(NCC(c2ccc(c1ccc(cc1)C(CNS(=O)(=O)C)C)cc2)C)C
InChi:InChI=1S/C20H28N2O4S2/c1-15(13-21-27(3,23)24)17-5-9-19(10-6-17)20-11-7-18(8-12-20)16(2)14-22-28(4,25)26/h5-12,15-16,21-22H,13-14H2,1-4H3/t15-,16-/m0/s1
別名:(R,R)-N,N-(2,2'-(biphenyl-4-4'-diyl)bis(propane-2,1-diyl))dimethanesulfonamide
定義日:2007-11-12
最終更新日:2021-03-13
識別子（ID）:N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dimethanesulfonamide
TNF
TNF
表記:PICRIC ACID
組成式:C6 H3 N3 O7
SMILES:O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O
InChi:InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H
別名:2,4,6-TRINITROPHENOL
定義日:2002-02-27
最終更新日:2021-03-13
識別子（ID）:2,4,6-trinitrophenol
BK2
BK2
表記:1-tert-butyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
組成式:C19 H19 N5
SMILES:n1c(c2c(nc1)n(nc2c4cc3ccccc3cc4)C(C)(C)C)N
InChi:InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,1-3H3,(H2,20,21,22)
別名:4-Amino-1-tert-butyl-3-(2-naphthyl)pyrazolo[3,4-d]pyrimidine
定義日:2009-07-09
最終更新日:2021-03-13
識別子（ID）:1-tert-butyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
TNM
TNM
表記:[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phosphonooxy-phosphinic acid
組成式:C9 H15 N5 O7 P2
SMILES:C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)O[P](O)(O)=O
InChi:InChI=1S/C9H15N5O7P2/c1-6(20-5-22(15,16)21-23(17,18)19)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H,15,16)(H2,10,11,12)(H2,17,18,19)/t6-/m1/s1
別名:Tenofovir-monophosphate
定義日:2008-12-18
最終更新日:2021-03-13
識別子（ID）:[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phosphonooxy-phosphinic acid
BL0
BL0
表記:1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide
組成式:C5 H10 N4 O2 S2
SMILES:O=S(=O)(N)Cc1nnc(s1)N(C)C
InChi:InChI=1S/C5H10N4O2S2/c1-9(2)5-8-7-4(12-5)3-13(6,10)11/h3H2,1-2H3,(H2,6,10,11)
別名:2-N,N-Dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide
定義日:2007-12-11
最終更新日:2021-03-13
識別子（ID）:1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide
BL6
BL6
表記:(3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
組成式:C18 H16 N2 O2
SMILES:O=C2c4c(N=C3N(c1ccccc1)CCC23O)cc(cc4)C
InChi:InChI=1S/C18H16N2O2/c1-12-7-8-14-15(11-12)19-17-18(22,16(14)21)9-10-20(17)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1
別名:S-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
定義日:2008-01-19
最終更新日:2021-03-13
識別子（ID）:(3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
BL7
BL7
表記:(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
組成式:C17 H14 N2 O2
SMILES:O=C2c4c(N=C3N(c1ccccc1)CCC23O)cccc4
InChi:InChI=1S/C17H14N2O2/c20-15-13-8-4-5-9-14(13)18-16-17(15,21)10-11-19(16)12-6-2-1-3-7-12/h1-9,21H,10-11H2/t17-/m1/s1
別名:(S-3a)-3a-hydroxy-1-phenyl-1,2,3,3A-tetrahydro-4H-pyrrol[2,3-B]quinolin-4-one
定義日:2008-01-19
最終更新日:2021-03-13
識別子（ID）:(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
BMF
BMF
表記:Bromosporine
組成式:C17 H20 N6 O4 S
SMILES:c1(ccc(C)c(c1)NS(=O)(C)=O)c2nn3c(c(NC(OCC)=O)c2)nnc3C
InChi:InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
別名:ethyl (3-methyl-6-{4-methyl-3-[(methylsulfonyl)amino]phenyl}[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate
定義日:2015-06-19
最終更新日:2021-03-13
公開日:2015-07-07
識別子（ID）:ethyl (3-methyl-6-{4-methyl-3-[(methylsulfonyl)amino]phenyl}[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate
BN2
BN2
表記:7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID
組成式:C21 H21 Cl3 N2 O5
SMILES:Clc1cc(cc(Cl)c1OCCCCCCC(=O)O)NC(=O)NC(=O)c2ccccc2Cl
InChi:InChI=1S/C21H21Cl3N2O5/c22-15-8-5-4-7-14(15)20(29)26-21(30)25-13-11-16(23)19(17(24)12-13)31-10-6-2-1-3-9-18(27)28/h4-5,7-8,11-12H,1-3,6,9-10H2,(H,27,28)(H2,25,26,29,30)
別名:7-{2,6-DICHLORO-4-[3-(2-CHLORO-BENZOYL)-UREIDO]-PHENOXY}-HEPTANOIC ACID
定義日:2004-12-14
最終更新日:2021-03-13
識別子（ID）:7-[2,6-dichloro-4-({[(2-chlorophenyl)carbonyl]carbamoyl}amino)phenoxy]heptanoic acid
BN4
BN4
表記:4-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2,3-DIMETHYLPHENOXY]BUTANOIC ACID
組成式:C20 H20 Cl2 N2 O5
SMILES:O=C(c1ccc(Cl)cc1Cl)NC(=O)Nc2ccc(OCCCC(=O)O)c(c2C)C
InChi:InChI=1S/C20H20Cl2N2O5/c1-11-12(2)17(29-9-3-4-18(25)26)8-7-16(11)23-20(28)24-19(27)14-6-5-13(21)10-15(14)22/h5-8,10H,3-4,9H2,1-2H3,(H,25,26)(H2,23,24,27,28)
別名:4-{4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2,3-DIMETHYL-PHENOXY}-BUTYRIC ACID
定義日:2004-12-10
最終更新日:2021-03-13
識別子（ID）:4-[4-({[(2,4-dichlorophenyl)carbonyl]carbamoyl}amino)-2,3-dimethylphenoxy]butanoic acid
BOB
BOB
表記:(S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid
組成式:C19 H35 N3 O8 S
SMILES:O=C(NC(C(=O)NCC(=O)O)CSC(C(O)CCCCC)CCO)CCC(C(=O)O)N
InChi:InChI=1S/C19H35N3O8S/c1-2-3-4-5-14(24)15(8-9-23)31-11-13(18(28)21-10-17(26)27)22-16(25)7-6-12(20)19(29)30/h12-15,23-24H,2-11,20H2,1H3,(H,21,28)(H,22,25)(H,26,27)(H,29,30)/t12-,13-,14+,15-/m0/s1
別名:L-gamma-glutamyl-S-[(1S,2R)-2-hydroxy-1-(2-hydroxyethyl)heptyl]-L-cysteinylglycine
定義日:2009-08-12
最終更新日:2021-03-13
識別子（ID）:L-gamma-glutamyl-S-[(3S,4R)-1,4-dihydroxynonan-3-yl]-L-cysteinylglycine
BP7
BP7
表記:1,1'-BIPHENYL-3,4-DIOL
組成式:C12 H10 O2
SMILES:Oc2ccc(c1ccccc1)cc2O
InChi:InChI=1S/C12H10O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,13-14H
別名:3,4-DIHYDROXYBIPHENYL
定義日:2005-12-14
最終更新日:2021-03-13
識別子（ID）:biphenyl-3,4-diol
BR1
BR1
表記:(1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol
組成式:C22 H25 Br N2 O2
SMILES:BrCc1ccc(nc1)c2oc(nc2)C(O)CCCCCCc3ccccc3
InChi:InChI=1S/C22H25BrN2O2/c23-14-18-12-13-19(24-15-18)21-16-25-22(27-21)20(26)11-7-2-1-4-8-17-9-5-3-6-10-17/h3,5-6,9-10,12-13,15-16,20,26H,1-2,4,7-8,11,14H2/t20-/m0/s1
別名:1-(5-(5-(bromomethyl)pyridin-2-yl)-7-phenylheptan-1-one, bound form
定義日:2013-02-14
最終更新日:2021-03-13
公開日:2013-05-01
識別子（ID）:(1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol

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