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2LV
2LV
表記:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide
組成式:C33 H48 N4 O6
SMILES:O=C(Nc1ccccc1)C(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C)CC(C)C
InChi:InChI=1S/C33H48N4O6/c1-21(2)17-26(29(38)32(41)34-25-15-11-8-12-16-25)35-30(39)27(18-22(3)4)36-31(40)28(19-23(5)6)37-33(42)43-20-24-13-9-7-10-14-24/h7-16,21-23,26-29,38H,17-20H2,1-6H3,(H,34,41)(H,35,39)(H,36,40)(H,37,42)/t26-,27-,28-,29-/m0/s1
別名:PHQ-Leu-Leu-Leu-ketoamide, bound form
定義日:2013-11-29
最終更新日:2020-06-17
公開日:2014-02-12
識別子（ID）:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide
2MD
2MD
表記:GUANYLATE-O'-PHOSPHORIC ACID MONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,5,6,7,8A,9,10,10A-OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL) ESTER
組成式:C20 H28 N10 O13 P2 S2
SMILES:O=C1C=2NC3C(S)C(S)C(OC3NC=2N=C(N)N1)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O)C(O)C6O
InChi:InChI=1S/C20H28N10O13P2S2/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34/h3-6,9-12,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33)/t4-,5-,6+,9-,10-,11+,12-,17-,18-/m1/s1
別名:MOLYBDENUM COFACTOR,BIS (MOLYBDOPTERIN GUANINE DINUCLEOTIDE)
定義日:1999-10-08
最終更新日:2020-06-17
識別子（ID）:5'-O-[(R)-{[(S)-{[(5aR,6R,7S,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,6,7,8,9a,10-octahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
2MK
2MK
表記:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-3-yl]-L-leucinamide
組成式:C27 H45 N3 O6
SMILES:O=C(NC(CC(C)C)C(O)CO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C
InChi:InChI=1S/C27H45N3O6/c1-17(2)12-21(24(32)15-31)28-25(33)22(13-18(3)4)29-26(34)23(14-19(5)6)30-27(35)36-16-20-10-8-7-9-11-20/h7-11,17-19,21-24,31-32H,12-16H2,1-6H3,(H,28,33)(H,29,34)(H,30,35)/t21-,22-,23-,24-/m0/s1
別名:PHQ-Leu-Leu-Leu-ketoaldehyde, bound form
定義日:2013-12-04
最終更新日:2020-06-17
公開日:2014-02-12
識別子（ID）:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-3-yl]-L-leucinamide
2NA
2NA
表記:naphthalen-2-ylmethanol
組成式:C11 H10 O
SMILES:OCc2ccc1c(cccc1)c2
InChi:InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2
別名:Naphthalenemethanol
定義日:2008-09-10
最終更新日:2020-06-17
識別子（ID）:naphthalen-2-ylmethanol
2NF
2NF
表記:[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1yl)- 3-fluoro-,4- hydroxyoxolan-2-yl]methyl phosphate
組成式:C21 H26 F N7 O13 P2
SMILES:NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2F
InChi:InChI=1S/C21H26FN7O13P2/c22-12-14(30)10(40-20(12)28-3-1-2-9(4-28)18(24)33)5-38-43(34,35)42-44(36,37)39-6-11-15(31)16(32)21(41-11)29-8-27-13-17(23)25-7-26-19(13)29/h1-4,7-8,10-12,14-16,20-21,30-32H,5-6H2,(H5-,23,24,25,26,33,34,35,36,37)/t10-,11-,12-,14-,15-,16-,20-,21-/m1/s1
別名:nicotinamide 2'-deoxy-2'-fluororibofuranosyl adenine dinucleotide
定義日:2009-03-27
最終更新日:2020-06-17
識別子（ID）:[(2R,3R,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate
2OW
2OW
表記:methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate
組成式:C20 H24 F N5 O3
SMILES:O=C(OC)N3CCN(Cc2c(F)c(NC(=O)Nc1ccc(nc1)C)ccc2)CC3
InChi:InChI=1S/C20H24FN5O3/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27)
別名:omecamtiv mercarbil
定義日:2014-04-23
最終更新日:2020-06-17
公開日:2015-07-07
識別子（ID）:methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate
2PD
2PD
表記:5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one
組成式:C23 H24 N4 O5 S
SMILES:O=C4N(N=C(c1ccccc1)C(O)=C4C3=Nc2c(cc(OC)cc2)S(=O)(=O)N3)CCC(C)C
InChi:InChI=1S/C23H24N4O5S/c1-14(2)11-12-27-23(29)19(21(28)20(25-27)15-7-5-4-6-8-15)22-24-17-10-9-16(32-3)13-18(17)33(30,31)26-22/h4-10,13-14,28H,11-12H2,1-3H3,(H,24,26)
別名:5-hydroxy-4-(7-methoxy-1,1-dioxo-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one
定義日:2008-01-11
最終更新日:2020-06-17
識別子（ID）:5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one
2PR
2PR
表記:2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-9H-PURINE-5'-MONOPHOSPHATE
組成式:C10 H14 N5 O6 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1cnc(nc12)N)CC3O
InChi:InChI=1S/C10H14N5O6P/c11-10-12-2-5-9(14-10)15(4-13-5)8-1-6(16)7(21-8)3-20-22(17,18)19/h2,4,6-8,16H,1,3H2,(H2,11,12,14)(H2,17,18,19)/t6-,7+,8+/m0/s1
別名:2-AMINOPURINE-2'-DEOXYRIBO-5'-MONOPHOSPHATE
定義日:2000-07-14
最終更新日:2020-06-17
識別子（ID）:9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-2-amine
2QE
2QE
表記:(2S,4R)-4-(3-Methoxy-3-oxopropyl) glutamic acid
組成式:C9 H15 N O6
SMILES:O=C(OC)CCC(C(=O)O)CC(C(=O)O)N
InChi:InChI=1S/C9H15NO6/c1-16-7(11)3-2-5(8(12)13)4-6(10)9(14)15/h5-6H,2-4,10H2,1H3,(H,12,13)(H,14,15)/t5-,6+/m1/s1
別名:(4R)-4-(3-methoxy-3-oxopropyl)-L-glutamic acid
定義日:2014-01-18
最終更新日:2020-06-17
公開日:2014-08-06
識別子（ID）:(4R)-4-(3-methoxy-3-oxopropyl)-L-glutamic acid
2QR
2QR
表記:(2R,3R,4S,5S)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]tetrahydro-2H-pyr an-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
組成式:C22 H33 N4 O20 P3
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4OCC(NCc3c(cnc(c3O)C)COP(=O)(O)O)C(O)C4O)O)O
InChi:InChI=1S/C22H33N4O20P3/c1-9-15(28)11(10(4-23-9)6-42-47(34,35)36)5-24-12-7-41-21(19(32)16(12)29)45-49(39,40)46-48(37,38)43-8-13-17(30)18(31)20(44-13)26-3-2-14(27)25-22(26)33/h2-4,12-13,16-21,24,28-32H,5-8H2,1H3,(H,37,38)(H,39,40)(H,25,27,33)(H2,34,35,36)/t12-,13+,16-,17+,18+,19+,20+,21+/m0/s1
別名:PLP-UDP-Ara4N
定義日:2014-01-09
最終更新日:2020-06-17
公開日:2014-03-12
識別子（ID）:(2R,3R,4S,5S)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
2R5
2R5
表記:N-tert-butyl-3-{[5-methyl-2-({4-[2-(1H-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide
組成式:C27 H32 N6 O3 S
SMILES:O=S(=O)(NC(C)(C)C)c1cccc(c1)Nc2nc(ncc2C)Nc4ccc(OCCn3cccc3)cc4
InChi:InChI=1S/C27H32N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h5-15,18-19,32H,16-17H2,1-4H3,(H2,28,29,30,31)
別名:TG101348
定義日:2014-01-10
最終更新日:2020-06-17
公開日:2014-03-05
識別子（ID）:N-tert-butyl-3-{[5-methyl-2-({4-[2-(1H-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide
2S0
2S0
表記:[(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopen ta[a]phenanthren-17-yl] acetate
組成式:C30 H37 N O4
SMILES:O=C5C=C1C(=C3C(CC1)C4C(C)(CC3c2ccc(N(C)C)cc2)C(OC(=O)C)(C(=O)C)CC4)CC5
InChi:InChI=1S/C30H37NO4/c1-18(32)30(35-19(2)33)15-14-27-25-12-8-21-16-23(34)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)31(4)5/h6-7,9-10,16,25-27H,8,11-15,17H2,1-5H3/t25-,26+,27-,29-,30-/m0/s1
別名:ulipristal acetate
定義日:2014-06-19
最終更新日:2020-06-17
公開日:2014-10-08
識別子（ID）:(11alpha,13alpha,17beta)-17-acetyl-11-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17-yl acetate
2SJ
2SJ
表記:N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
組成式:C21 H23 N O6
SMILES:O=C3C=C2C(c1c(cc(OC)c(OC)c1OC)CCC2NC(=O)C)=CC=C3O
InChi:InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-16(24)17(25)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,25)/t15-/m0/s1
別名:Colchiceine
定義日:2014-01-21
最終更新日:2020-06-17
公開日:2014-01-29
識別子（ID）:N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
EDS
EDS
表記:(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-y l]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide
組成式:C25 H48 N6 O10
SMILES:C1(C(NC(=O)C(CCN)O)CC(C(C1O)OC2C(CC=C(O2)CNCCO)N)N)OC3C(C(NC)C(O)(CO3)C)O
InChi:InChI=1S/C25H48N6O10/c1-25(37)11-38-24(18(35)21(25)29-2)41-20-15(31-22(36)16(33)5-6-26)9-14(28)19(17(20)34)40-23-13(27)4-3-12(39-23)10-30-7-8-32/h3,13-21,23-24,29-30,32-35,37H,4-11,26-28H2,1-2H3,(H,31,36)/t13-,14+,15-,16+,17+,18-,19-,20+,21-,23-,24-,25+/m1/s1
別名:plazomicin
定義日:2018-01-02
最終更新日:2020-06-17
公開日:2018-01-31
識別子（ID）:(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide
EF1
EF1
表記:(2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid
組成式:C21 H35 N2 O5 P
SMILES:O=C(O)C(CCCCCN)CP(=O)(O)C(NC(=O)CCc1ccccc1)C(C)C
InChi:InChI=1S/C21H35N2O5P/c1-16(2)20(23-19(24)13-12-17-9-5-3-6-10-17)29(27,28)15-18(21(25)26)11-7-4-8-14-22/h3,5-6,9-10,16,18,20H,4,7-8,11-15,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-,20-/m1/s1
別名:EF6265
定義日:2013-06-13
最終更新日:2020-06-17
公開日:2013-10-02
識別子（ID）:(2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid
EF6
EF6
表記:N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
組成式:C14 H12 Cl N3 O4 S2
SMILES:N(S(=O)(c1ccc(cc1)S(N)(=O)=O)=O)c2cccc3c2ncc3Cl
InChi:InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
別名:Indisulam
定義日:2019-08-05
最終更新日:2020-06-17
公開日:2019-11-13
識別子（ID）:N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
EFG
EFG
表記:1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1H-imidazo[2,1-b]purin-4(5H)-one
組成式:C12 H13 F N5 O7 P
SMILES:O=P(O)(O)OCC4OC(n1cnc3c1n2ccnc2NC3=O)C(F)C4O
InChi:InChI=1S/C12H13FN5O7P/c13-6-8(19)5(3-24-26(21,22)23)25-11(6)18-4-15-7-9(20)16-12-14-1-2-17(12)10(7)18/h1-2,4-6,8,11,19H,3H2,(H,14,16,20)(H2,21,22,23)/t5-,6+,8-,11-/m1/s1
別名:2'-F-N2,3-etheno-2'-deoxyarabinoguanosine
定義日:2012-01-04
最終更新日:2020-06-17
識別子（ID）:1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1H-imidazo[2,1-b]purin-4(5H)-one
EGC
EGC
表記:2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX Y}-ETHOXY)-ETHANOL
組成式:C32 H58 O10
SMILES:O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCO
InChi:InChI=1S/C32H58O10/c1-31(2,3)28-32(4,5)29-6-8-30(9-7-29)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33/h6-9,33H,10-28H2,1-5H3
別名:TRITON X-100
定義日:2001-08-02
最終更新日:2020-06-17
識別子（ID）:26-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol
ELB
ELB
表記:4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide
組成式:C19 H20 I N5 O2
SMILES:Nc1cccc2N(C3CCN(CC3)C(=O)Nc4ccc(I)cc4)C(=O)Nc12
InChi:InChI=1S/C19H20IN5O2/c20-12-4-6-13(7-5-12)22-18(26)24-10-8-14(9-11-24)25-16-3-1-2-15(21)17(16)23-19(25)27/h1-7,14H,8-11,21H2,(H,22,26)(H,23,27)
別名:TH5675
定義日:2018-03-26
最終更新日:2020-06-17
公開日:2018-11-28
識別子（ID）:4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide
ELG
ELG
表記:(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(3-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2H-pyran-2-yl]oxy}octanamide
組成式:C33 H56 N2 O10
SMILES:N(C(CCCCCCC)=O)C(COC1C(C(C(C(O1)CO)O)O)O)C(O)C(O)CCCC(=O)Nc2cccc(c2)CCCCC
InChi:InChI=1S/C33H56N2O10/c1-3-5-7-8-10-17-28(39)35-24(21-44-33-32(43)31(42)30(41)26(20-36)45-33)29(40)25(37)16-12-18-27(38)34-23-15-11-14-22(19-23)13-9-6-4-2/h11,14-15,19,24-26,29-33,36-37,40-43H,3-10,12-13,16-18,20-21H2,1-2H3,(H,34,38)(H,35,39)/t24-,25+,26+,29-,30-,31-,32+,33-/m0/s1
別名:aGSA[8,P5m]
定義日:2018-01-19
最終更新日:2020-06-17
公開日:2019-01-30
識別子（ID）:(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(3-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name)
ELM
ELM
表記:N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetra hydro-2H-pyran-2-yl]oxy}octan-2-yl]dodecanamide
組成式:C38 H66 N2 O10
SMILES:C(CCCCCCCCCC)C(NC(C(O)C(O)CCCC(=O)NCCCCCCc1ccccc1)COC2OC(C(C(C2O)O)O)CO)=O
InChi:InChI=1S/C38H66N2O10/c1-2-3-4-5-6-7-8-9-16-23-33(44)40-29(27-49-38-37(48)36(47)35(46)31(26-41)50-38)34(45)30(42)22-18-24-32(43)39-25-17-11-10-13-19-28-20-14-12-15-21-28/h12,14-15,20-21,29-31,34-38,41-42,45-48H,2-11,13,16-19,22-27H2,1H3,(H,39,43)(H,40,44)/t29-,30+,31+,34-,35-,36-,37+,38-/m0/s1
別名:aGSA[12,6P]
定義日:2018-01-19
最終更新日:2020-06-17
公開日:2019-01-30
識別子（ID）:N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]dodecanamide (non-preferred name)
ELS
ELS
表記:N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(4-pentylphenyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetr ahydro-2H-pyran-2-yl]oxy}octan-2-yl]hexacosanamide
組成式:C51 H92 N2 O10
SMILES:C(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC(=O)Nc2ccc(CCCCC)cc2)O)O
InChi:InChI=1S/C51H92N2O10/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-32-46(57)53-42(39-62-51-50(61)49(60)48(59)44(38-54)63-51)47(58)43(55)31-29-33-45(56)52-41-36-34-40(35-37-41)30-27-6-4-2/h34-37,42-44,47-51,54-55,58-61H,3-33,38-39H2,1-2H3,(H,52,56)(H,53,57)/t42-,43+,44+,47-,48-,49-,50+,51-/m0/s1
別名:aGSA[26,P5p]
定義日:2018-01-19
最終更新日:2020-06-17
公開日:2019-01-30
識別子（ID）:N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(4-pentylphenyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]hexacosanamide (non-preferred name)
EM1
EM1
表記:(3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
組成式:C43 H65 F N6 O10
SMILES:O=C2OC5(C(OC(=O)C(F)(C(=O)C(C(OC1OC(C)CC(N(C)C)C1O)C(OC)(C)CC(C(=O)C(C)C5N2CCCCn4nnc(c3cccc(N)c3)c4)C)C)C)CC)C
InChi:InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3/t24-,25-,26+,27+,31+,32-,34-,35-,37-,38+,41-,42+,43-/m1/s1
別名:CEM-101
定義日:2010-09-20
最終更新日:2020-06-17
識別子（ID）:(3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
ENL
ENL
表記:(1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
組成式:C8 H10 O5
SMILES:O=C(O)C1C(C(=O)O)C2OC1CC2
InChi:InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)/t3-,4+,5-,6+
別名:Endothall
定義日:2009-05-07
最終更新日:2020-06-17
識別子（ID）:(1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
EO5
EO5
表記:~{N}-[3-[4-[[(1~{S})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{H}-pyrrolo[ 2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide
組成式:C28 H26 N8 O4 S
SMILES:C[CH](Nc1ncnc2[nH]cc(c3cc(O)cc(N[S](C)(=O)=O)c3)c12)C4=Nn5ccc(C)c5C(=O)N4c6ccccc6
InChi:InChI=1S/C28H26N8O4S/c1-16-9-10-35-24(16)28(38)36(20-7-5-4-6-8-20)27(33-35)17(2)32-26-23-22(14-29-25(23)30-15-31-26)18-11-19(13-21(37)12-18)34-41(3,39)40/h4-15,17,34,37H,1-3H3,(H2,29,30,31,32)/t17-/m0/s1
別名:LASW1976
定義日:2018-04-03
最終更新日:2020-06-17
公開日:2018-11-07
識別子（ID）:~{N}-[3-[4-[[(1~{S})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide

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