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O7V
O7V
表記:(2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
組成式:C38 H44 F N5 O8
SMILES:C2(=CC(O)CC(Cc1nc(co1)C(N5C(C(OC(C(C=CC(NCC=C2)=O)C)C(C)COC(Nc3ncc4c(c3)cccc4)=O)=O)CCC5)=O)F)C
InChi:InChI=1S/C38H44FN5O8/c1-23-8-6-14-40-33(46)13-12-24(2)35(25(3)21-51-38(49)43-32-17-26-9-4-5-10-27(26)20-41-32)52-37(48)31-11-7-15-44(31)36(47)30-22-50-34(42-30)19-28(39)18-29(45)16-23/h4-6,8-10,12-13,16-17,20,22,24-25,28-29,31,35,45H,7,11,14-15,18-19,21H2,1-3H3,(H,40,46)(H,41,43,49)/b8-6+,13-12+,23-16+/t24-,25-,28-,29-,31-,35+/m1/s1
定義日:2019-06-17
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:(2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
O7Y
O7Y
表記:(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
組成式:C38 H43 N5 O9
SMILES:C2(=CC(O)CC(Cc1nc(co1)C(N5C(C(OC(C(C=CC(NCC=C2)=O)C)C(C)COC(Nc3ncc4c(c3)cccc4)=O)=O)CCC5)=O)=O)C
InChi:InChI=1S/C38H43N5O9/c1-23-8-6-14-39-33(46)13-12-24(2)35(25(3)21-51-38(49)42-32-17-26-9-4-5-10-27(26)20-40-32)52-37(48)31-11-7-15-43(31)36(47)30-22-50-34(41-30)19-29(45)18-28(44)16-23/h4-6,8-10,12-13,16-17,20,22,24-25,28,31,35,44H,7,11,14-15,18-19,21H2,1-3H3,(H,39,46)(H,40,42,49)/b8-6+,13-12+,23-16+/t24-,25-,28-,31-,35+/m1/s1
定義日:2019-06-17
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
O8D
O8D
表記:(3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone
組成式:C30 H39 N3 O7
SMILES:C2(CC(Cc1nc(co1)C(N3C(C(OC(C(C)C)C(C=CC(=O)NCC=CC(=C2)C)C/C=C)=O)CCC3)=O)=O)O
InChi:InChI=1S/C30H39N3O7/c1-5-8-21-11-12-26(36)31-13-6-9-20(4)15-22(34)16-23(35)17-27-32-24(18-39-27)29(37)33-14-7-10-25(33)30(38)40-28(21)19(2)3/h5-6,9,11-12,15,18-19,21-22,25,28,34H,1,7-8,10,13-14,16-17H2,2-4H3,(H,31,36)/b9-6+,12-11+,20-15+/t21-,22-,25-,28-/m1/s1
定義日:2019-06-18
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:(3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone
O8P
O8P
表記:(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate
組成式:C34 H40 Br N5 O9
SMILES:C3(CC(Cc1nc(co1)C(N4C(C(=O)OC(C(COC(Nc2cc(Br)ncc2)=O)C)C(C=CC(NCC=CC(=C3)C)=O)C)CCC4)=O)=O)O
InChi:InChI=1S/C34H40BrN5O9/c1-20-6-4-11-37-29(43)9-8-21(2)31(22(3)18-48-34(46)38-23-10-12-36-28(35)15-23)49-33(45)27-7-5-13-40(27)32(44)26-19-47-30(39-26)17-25(42)16-24(41)14-20/h4,6,8-10,12,14-15,19,21-22,24,27,31,41H,5,7,11,13,16-18H2,1-3H3,(H,37,43)(H,36,38,46)/b6-4+,9-8+,20-14+/t21-,22-,24-,27-,31+/m1/s1
定義日:2019-06-18
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate
O8V
O8V
表記:(2S)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
組成式:C38 H43 N5 O9
SMILES:C4(O)C=C(C=CCNC(C=CC(C)C(C(C)COC(=O)Nc1ncc2c(c1)cccc2)OC(C3CCCN3C(c5coc(CC(C4)=O)n5)=O)=O)=O)C
InChi:InChI=1S/C38H43N5O9/c1-23-8-6-14-39-33(46)13-12-24(2)35(25(3)21-51-38(49)42-32-17-26-9-4-5-10-27(26)20-40-32)52-37(48)31-11-7-15-43(31)36(47)30-22-50-34(41-30)19-29(45)18-28(44)16-23/h4-6,8-10,12-13,16-17,20,22,24-25,28,31,35,44H,7,11,14-15,18-19,21H2,1-3H3,(H,39,46)(H,40,42,49)/b8-6+,13-12+,23-16+/t24-,25+,28-,31-,35+/m1/s1
定義日:2019-06-18
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:(2S)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
EGF
EGF
表記:~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
組成式:C33 H41 N5 O8
SMILES:CC(C)[CH](NC(=O)c1cc(C)on1)C(=O)N[CH]2[CH](OCCC=CCOC(=O)C=C[CH](C[CH]3CCNC3=O)NC2=O)c4ccccc4
InChi:InChI=1S/C33H41N5O8/c1-20(2)27(36-31(41)25-18-21(3)46-38-25)32(42)37-28-29(22-10-6-4-7-11-22)45-17-9-5-8-16-44-26(39)13-12-24(35-33(28)43)19-23-14-15-34-30(23)40/h4-8,10-13,18,20,23-24,27-29H,9,14-17,19H2,1-3H3,(H,34,40)(H,35,43)(H,36,41)(H,37,42)/b8-5+,13-12-/t23-,24+,27-,28-,29-/m0/s1
定義日:2019-12-20
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
OGE
OGE
表記:1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea
組成式:C8 H10 Br N3 O2
SMILES:OCCNC(=O)Nc1ccc(Br)cn1
InChi:InChI=1S/C8H10BrN3O2/c9-6-1-2-7(11-5-6)12-8(14)10-3-4-13/h1-2,5,13H,3-4H2,(H2,10,11,12,14)
定義日:2020-03-05
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea
X33
X33
表記:Carborane inhibitor
組成式:C5 H8 B10 N O2 S
SMILES:N[S](=O)(=O)CCC[C++]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C+]3%15%18[B]47%14%16
InChi:InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-5-4-6(5)8(4)9(4)7(4,5)11(5)10(5,6)12(6,8)14(8,9)13(7,9,11)15(10,11,12)14/h1-3H2,(H2,16,17,18)/q+3
定義日:2019-10-23
最終更新日:2020-06-12
公開日:2020-06-17
R3Y
R3Y
表記:1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1H-pyrrole-2,5-dione
組成式:C23 H21 Cl F N3 O3 S
SMILES:Cc4cc(Cl)cc(c2ccnc3cc(CN1C(CCC1=O)=O)sc23)c4OC5CNCC5F
InChi:InChI=1S/C23H21ClFN3O3S/c1-12-6-13(24)7-16(22(12)31-19-10-26-9-17(19)25)15-4-5-27-18-8-14(32-23(15)18)11-28-20(29)2-3-21(28)30/h4-8,17,19,26H,2-3,9-11H2,1H3/t17-,19+/m0/s1
定義日:2020-01-29
最終更新日:2020-06-08
公開日:2020-04-29
識別子（ID）:1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}pyrrolidine-2,5-dione
R44
R44
表記:1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione
組成式:C25 H23 Cl N4 O4 S
SMILES:c1(Cl)cc(c2c(c1)CC(O2)C(N3CCNCC3)=O)c5ccnc6cc(CN4C(=O)CCC4=O)sc56
InChi:InChI=1S/C25H23ClN4O4S/c26-15-9-14-10-20(25(33)29-7-5-27-6-8-29)34-23(14)18(11-15)17-3-4-28-19-12-16(35-24(17)19)13-30-21(31)1-2-22(30)32/h3-4,9,11-12,20,27H,1-2,5-8,10,13H2/t20-/m1/s1
定義日:2020-01-29
最終更新日:2020-06-08
公開日:2020-04-29
識別子（ID）:1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione
L5K
L5K
表記:~{N}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide
組成式:C22 H17 N3 O7 S
SMILES:OC1(CC1)C(=O)Nc2cccc(N[S](=O)(=O)c3ccc4oc5cc(ccc5c4c3)[N+]([O-])=O)c2
InChi:InChI=1S/C22H17N3O7S/c26-21(22(27)8-9-22)23-13-2-1-3-14(10-13)24-33(30,31)16-5-7-19-18(12-16)17-6-4-15(25(28)29)11-20(17)32-19/h1-7,10-12,24,27H,8-9H2,(H,23,26)
定義日:2019-07-22
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:~{N}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide
L5N
L5N
表記:4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid
組成式:C21 H13 Cl N2 O5 S
SMILES:OC(=O)c1ccc(CN2C(=O)c3cccc(NC(=O)c4sc(Cl)cc4)c3C2=O)cc1
InChi:InChI=1S/C21H13ClN2O5S/c22-16-9-8-15(30-16)18(25)23-14-3-1-2-13-17(14)20(27)24(19(13)26)10-11-4-6-12(7-5-11)21(28)29/h1-9H,10H2,(H,23,25)(H,28,29)
定義日:2019-07-22
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid
N9T
N9T
表記:(1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide
組成式:C25 H28 N2 O5
SMILES:COc1cc2OC(=O)C(=Cc2cc1OC)NC(=O)[CH]3CCC[CH](C3)NCc4ccccc4
InChi:InChI=1S/C25H28N2O5/c1-30-22-13-18-12-20(25(29)32-21(18)14-23(22)31-2)27-24(28)17-9-6-10-19(11-17)26-15-16-7-4-3-5-8-16/h3-5,7-8,12-14,17,19,26H,6,9-11,15H2,1-2H3,(H,27,28)/t17-,19+/m1/s1
定義日:2019-11-21
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:(1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide
NF8
NF8
表記:(2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol
組成式:C6 H11 F O4
SMILES:OC[CH]1OC[CH](F)[CH](O)[CH]1O
InChi:InChI=1S/C6H11FO4/c7-3-2-11-4(1-8)6(10)5(3)9/h3-6,8-10H,1-2H2/t3-,4+,5+,6+/m0/s1
定義日:2019-11-27
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:(2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol
QZ8
QZ8
表記:3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
組成式:C13 H11 N3 O
SMILES:Cc1[nH]nc2NC(=O)C=C(c3ccccc3)c12
InChi:InChI=1S/C13H11N3O/c1-8-12-10(9-5-3-2-4-6-9)7-11(17)14-13(12)16-15-8/h2-7H,1H3,(H2,14,15,16,17)
定義日:2019-12-13
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
QD7
QD7
表記:(R)-(3-aminopropyl)methylphosphinic acid
組成式:C4 H12 N O2 P
SMILES:C(CCP(C)(O)=O)N
InChi:InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
定義日:2019-10-16
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:(R)-(3-aminopropyl)methylphosphinic acid
QDA
QDA
表記:N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine
組成式:C15 H23 N5 O2 S
SMILES:c2([N+]([O-])=O)c(NC1CCCC1)nc(nc2NC3CCCC3)SC
InChi:InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)
定義日:2019-10-16
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine
L8N
L8N
表記:phenyl-(4-sulfamoylphenoxy)phosphinic acid
組成式:C12 H12 N O5 P S
SMILES:N[S](=O)(=O)c1ccc(O[P](O)(=O)c2ccccc2)cc1
InChi:InChI=1S/C12H12NO5PS/c13-20(16,17)12-8-6-10(7-9-12)18-19(14,15)11-4-2-1-3-5-11/h1-9H,(H,14,15)(H2,13,16,17)
定義日:2019-07-29
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:phenyl-(4-sulfamoylphenoxy)phosphinic acid
PJW
PJW
表記:benzo[b][1]benziodole
組成式:C12 H8 I
SMILES:[I]1c2ccccc2c3ccccc13
InChi:InChI=1S/C12H9I/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
定義日:2020-04-23
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:benzo[b][1]benziodole
TJ1
TJ1
表記:3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one
組成式:C5 H8 N2 O2
SMILES:C1(=O)NC(=NO1)C(C)C
InChi:InChI=1S/C5H8N2O2/c1-3(2)4-6-5(8)9-7-4/h3H,1-2H3,(H,6,7,8)
定義日:2020-03-20
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one
TJV
TJV
表記:1,3-benzodioxole-5-carbothioamide
組成式:C8 H7 N O2 S
SMILES:c2c1OCOc1ccc2C(N)=S
InChi:InChI=1S/C8H7NO2S/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-3H,4H2,(H2,9,12)
定義日:2020-03-23
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:2H-1,3-benzodioxole-5-carbothioamide
SWP
SWP
表記:methyl ((10R,14S)-14-(4-(3-chloro-2,6-difluorophenyl)-6-oxo-3,6-dihydro- 1(2h)-pyridinyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0~2,7~]nonadeca- 1(19),2,4,6,15,17-hexaen-5-yl)carbamate
組成式:C31 H29 Cl F2 N4 O4
SMILES:COC(=O)Nc1ccc2c(NC(=O)[CH](C)CCC[CH](N3CCC(=CC3=O)c4c(F)ccc(Cl)c4F)c5cc2ccn5)c1
InChi:InChI=1S/C31H29ClF2N4O4/c1-17-4-3-5-26(38-13-11-19(15-27(38)39)28-23(33)9-8-22(32)29(28)34)25-14-18(10-12-35-25)21-7-6-20(36-31(41)42-2)16-24(21)37-30(17)40/h6-10,12,14-17,26H,3-5,11,13H2,1-2H3,(H,36,41)(H,37,40)/t17-,26+/m1/s1
定義日:2020-03-12
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:methyl ~{N}-[(10~{R},14~{S})-14-[4-[3-chloranyl-2,6-bis(fluoranyl)phenyl]-6-oxidanylidene-2,3-dihydropyridin-1-yl]-10-methyl-9-oxidanylidene-8,16-diazatricyclo[13.3.1.0^{2,7}]nonadeca-1(18),2,4,6,15(19),16-hexaen-5-yl]carbamate
UKV
UKV
表記:(5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
組成式:C11 H9 N O2 S2
SMILES:COc2cccc([C@H]=C1C(NC(S1)=S)=O)c2
InChi:InChI=1S/C11H9NO2S2/c1-14-8-4-2-3-7(5-8)6-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)/b9-6-
定義日:2020-05-20
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:(5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
UL1
UL1
表記:(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
組成式:C12 H11 N O3 S2
SMILES:COc2ccc([C@H]=C1C(=O)NC(=S)S1)cc2OC
InChi:InChI=1S/C12H11NO3S2/c1-15-8-4-3-7(5-9(8)16-2)6-10-11(14)13-12(17)18-10/h3-6H,1-2H3,(H,13,14,17)/b10-6-
定義日:2020-05-20
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CKU
CKU
表記:(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid
組成式:C9 H17 N O4
SMILES:CCCN1C[CH](O)[CH](O)[CH](C1)C(O)=O
InChi:InChI=1S/C9H17NO4/c1-2-3-10-4-6(9(13)14)8(12)7(11)5-10/h6-8,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8+/m0/s1
定義日:2019-05-09
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid

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件を2024-09-04に公開中

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