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8T6
8T6
表記:N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
組成式:C23 H32 N4 O4
SMILES:CC(C)(C)CC(NC(=O)c1cc2ccccc2[NH]1)C(=O)NC(CC1CCNC1=O)CO
InChi:InChI=1S/C23H32N4O4/c1-23(2,3)12-19(22(31)25-16(13-28)10-15-8-9-24-20(15)29)27-21(30)18-11-14-6-4-5-7-17(14)26-18/h4-7,11,15-16,19,26,28H,8-10,12-13H2,1-3H3,(H,24,29)(H,25,31)(H,27,30)/t15-,16-,19-/m0/s1
定義日:2021-09-30
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
8UI
8UI
表記:N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
組成式:C24 H34 N4 O5
SMILES:COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO
InChi:InChI=1S/C24H34N4O5/c1-24(2,3)12-19(23(32)26-15(13-29)10-14-8-9-25-21(14)30)28-22(31)18-11-16-17(27-18)6-5-7-20(16)33-4/h5-7,11,14-15,19,27,29H,8-10,12-13H2,1-4H3,(H,25,30)(H,26,32)(H,28,31)/t14-,15-,19-/m0/s1
定義日:2021-09-30
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
8II
8II
表記:3-({4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl}amino)propan-1-ol
組成式:C18 H18 Cl N5 O
SMILES:OCCCNc1nccc(c1)c1ccnc(Nc2cc(Cl)ccc2)n1
InChi:InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(12-14)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H,22,23,24)
定義日:2021-09-20
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:3-({4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl}amino)propan-1-ol
I80
I80
表記:(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C24 H30 F3 N3 O6
SMILES:CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)COc1ccc(OC(F)(F)F)cc1
InChi:InChI=1S/C24H30F3N3O6/c1-23(2)17-10-30(18(32)12-35-15-3-5-16(6-4-15)36-24(25,26)27)20(19(17)23)22(34)29-14(11-31)9-13-7-8-28-21(13)33/h3-6,13-14,17,19-20,31H,7-12H2,1-2H3,(H,28,33)(H,29,34)/t13-,14-,17-,19-,20-/m0/s1
定義日:2021-10-01
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
IFW
IFW
表記:(2~{R})-~{N}-[2-[4-[(2-acetamidophenoxy)methyl]-1,2,3-triazol-1-yl]ethyl]-2-(2-methylpropyl)-~{N}'-oxidanyl-propanediamide
組成式:C20 H28 N6 O5
SMILES:CC(C)C[CH](C(=O)NO)C(=O)NCCn1cc(COc2ccccc2NC(C)=O)nn1
InChi:InChI=1S/C20H28N6O5/c1-13(2)10-16(20(29)24-30)19(28)21-8-9-26-11-15(23-25-26)12-31-18-7-5-4-6-17(18)22-14(3)27/h4-7,11,13,16,30H,8-10,12H2,1-3H3,(H,21,28)(H,22,27)(H,24,29)/t16-/m1/s1
定義日:2022-03-17
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(2~{R})-~{N}-[2-[4-[(2-acetamidophenoxy)methyl]-1,2,3-triazol-1-yl]ethyl]-2-(2-methylpropyl)-~{N}'-oxidanyl-propanediamide
IQ4
IQ4
表記:~{N}-[3-[[3-[3-[3-[3-[(4-hydroxyphenyl)carbothioylamino]propanethioylamino]propanethioylamino]propylamino]-3-sulfanylidene-propyl]amino]-3-sulfanylidene-propyl]-4-oxidanyl-benzenecarbothioamide
組成式:C29 H38 N6 O2 S6
SMILES:Oc1ccc(cc1)C(=S)NCCC(=S)NCCC(=S)NCCCNC(=S)CCNC(=S)CCNC(=S)c2ccc(O)cc2
InChi:InChI=1S/C29H38N6O2S6/c36-22-6-2-20(3-7-22)28(42)34-18-12-26(40)32-16-10-24(38)30-14-1-15-31-25(39)11-17-33-27(41)13-19-35-29(43)21-4-8-23(37)9-5-21/h2-9,36-37H,1,10-19H2,(H,30,38)(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,43)
別名:Closthioamide
定義日:2022-04-06
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:~{N}-[3-[[3-[3-[3-[3-[(4-hydroxyphenyl)carbothioylamino]propanethioylamino]propanethioylamino]propylamino]-3-sulfanylidene-propyl]amino]-3-sulfanylidene-propyl]-4-oxidanyl-benzenecarbothioamide
K2O
K2O
表記:6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide
組成式:C13 H23 N5 O4
SMILES:C[CH](O)[CH](NC(=O)[CH](C)NC(=O)CCCCCN=[N+]=[N-])C=O
InChi:InChI=1S/C13H23N5O4/c1-9(13(22)17-11(8-19)10(2)20)16-12(21)6-4-3-5-7-15-18-14/h8-11,20H,3-7H2,1-2H3,(H,16,21)(H,17,22)/t9-,10-,11-/m1/s1
別名:Beta-lactone antibacterial agent (open form)
定義日:2022-05-17
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:6-azido-~{N}-[(2~{R})-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide
V4X
V4X
表記:3-oxo-3-(thiomorpholin-4-yl)propanenitrile
組成式:C7 H10 N2 O S
SMILES:O=C(CC#N)N1CCSCC1
InChi:InChI=1S/C7H10N2OS/c8-2-1-7(10)9-3-5-11-6-4-9/h1,3-6H2
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:3-oxo-3-(thiomorpholin-4-yl)propanenitrile
VKO
VKO
表記:1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid
組成式:C13 H15 N O3
SMILES:O=C(O)C1(CC1)C(=O)NCc1ccccc1C
InChi:InChI=1S/C13H15NO3/c1-9-4-2-3-5-10(9)8-14-11(15)13(6-7-13)12(16)17/h2-5H,6-8H2,1H3,(H,14,15)(H,16,17)
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid
V5I
V5I
表記:2-methyl-1-(2-methylphenyl)propan-2-amine
組成式:C11 H17 N
SMILES:NC(C)(C)Cc1ccccc1C
InChi:InChI=1S/C11H17N/c1-9-6-4-5-7-10(9)8-11(2,3)12/h4-7H,8,12H2,1-3H3
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:2-methyl-1-(2-methylphenyl)propan-2-amine
W0R
W0R
表記:3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide
組成式:C12 H18 N2 O S
SMILES:O=C(Nc1cccnc1)CCSCC(C)C
InChi:InChI=1S/C12H18N2OS/c1-10(2)9-16-7-5-12(15)14-11-4-3-6-13-8-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,14,15)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide
W0X
W0X
表記:3-[(3-bromophenyl)methanesulfonyl]propanoic acid
組成式:C10 H11 Br O4 S
SMILES:Brc1cc(CS(=O)(=O)CCC(=O)O)ccc1
InChi:InChI=1S/C10H11BrO4S/c11-9-3-1-2-8(6-9)7-16(14,15)5-4-10(12)13/h1-3,6H,4-5,7H2,(H,12,13)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:3-[(3-bromophenyl)methanesulfonyl]propanoic acid
W2O
W2O
表記:D-phenylalaninamide
組成式:C9 H12 N2 O
SMILES:NC(Cc1ccccc1)C(N)=O
InChi:InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m1/s1
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:D-phenylalaninamide
W2U
W2U
表記:(2S)-2-phenoxypropanehydrazide
組成式:C9 H12 N2 O2
SMILES:CC(Oc1ccccc1)C(=O)NN
InChi:InChI=1S/C9H12N2O2/c1-7(9(12)11-10)13-8-5-3-2-4-6-8/h2-7H,10H2,1H3,(H,11,12)/t7-/m0/s1
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2S)-2-phenoxypropanehydrazide
V8T
V8T
表記:(1R)-1-{4-[(propan-2-yl)oxy]phenyl}ethan-1-amine
組成式:C11 H17 N O
SMILES:CC(C)Oc1ccc(cc1)C(C)N
InChi:InChI=1S/C11H17NO/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-9H,12H2,1-3H3/t9-/m1/s1
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(1R)-1-{4-[(propan-2-yl)oxy]phenyl}ethan-1-amine
VOQ
VOQ
表記:N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide
組成式:C11 H19 N3 O2
SMILES:CN(Cc1c(C)onc1C)C(=O)C(C)(C)N
InChi:InChI=1S/C11H19N3O2/c1-7-9(8(2)16-13-7)6-14(5)10(15)11(3,4)12/h6,12H2,1-5H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide
W50
W50
表記:(2S)-1-(2-bromophenoxy)-3-(pyrrolidin-1-yl)propan-2-ol
組成式:C13 H18 Br N O2
SMILES:OC(COc1ccccc1Br)CN1CCCC1
InChi:InChI=1S/C13H18BrNO2/c14-12-5-1-2-6-13(12)17-10-11(16)9-15-7-3-4-8-15/h1-2,5-6,11,16H,3-4,7-10H2/t11-/m0/s1
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2S)-1-(2-bromophenoxy)-3-(pyrrolidin-1-yl)propan-2-ol
V9X
V9X
表記:3-(1H-indol-3-yl)propanamide
組成式:C11 H12 N2 O
SMILES:NC(=O)CCc1c[NH]c2ccccc21
InChi:InChI=1S/C11H12N2O/c12-11(14)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6H2,(H2,12,14)
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:3-(1H-indol-3-yl)propanamide
W5L
W5L
表記:(2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol
組成式:C10 H14 Cl N O2
SMILES:Cc1cc(OCC(O)CN)ccc1Cl
InChi:InChI=1S/C10H14ClNO2/c1-7-4-9(2-3-10(7)11)14-6-8(13)5-12/h2-4,8,13H,5-6,12H2,1H3/t8-/m1/s1
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol
W63
W63
表記:(2S)-N-(3-chlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]propanamide
組成式:C11 H14 Cl N O2 S
SMILES:Clc1cc(NC(=O)C(C)SCCO)ccc1
InChi:InChI=1S/C11H14ClNO2S/c1-8(16-6-5-14)11(15)13-10-4-2-3-9(12)7-10/h2-4,7-8,14H,5-6H2,1H3,(H,13,15)/t8-/m0/s1
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2S)-N-(3-chlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]propanamide
W6C
W6C
表記:N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
組成式:C10 H17 N3 O3
SMILES:O=C(NC(C)COC)C=1CCC(=O)N(C)N=1
InChi:InChI=1S/C10H17N3O3/c1-7(6-16-3)11-10(15)8-4-5-9(14)13(2)12-8/h7H,4-6H2,1-3H3,(H,11,15)/t7-/m0/s1
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
W6L
W6L
表記:(3R)-3-amino-3-phenylpropanenitrile
組成式:C9 H10 N2
SMILES:NC(CC#N)c1ccccc1
InChi:InChI=1S/C9H10N2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9H,6,11H2/t9-/m1/s1
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(3R)-3-amino-3-phenylpropanenitrile
WOR
WOR
表記:N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide
組成式:C11 H18 N2 O3 S
SMILES:Oc1ccc(C)cc1NS(=O)(=O)N(C)C(C)C
InChi:InChI=1S/C11H18N2O3S/c1-8(2)13(4)17(15,16)12-10-7-9(3)5-6-11(10)14/h5-8,12,14H,1-4H3
定義日:2022-10-06
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide
W6W
W6W
表記:N~3~-[(2-bromophenyl)methyl]-N~3~-methyl-beta-alaninamide
組成式:C11 H15 Br N2 O
SMILES:Brc1ccccc1CN(C)CCC(N)=O
InChi:InChI=1S/C11H15BrN2O/c1-14(7-6-11(13)15)8-9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3,(H2,13,15)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N~3~-[(2-bromophenyl)methyl]-N~3~-methyl-beta-alaninamide
VBO
VBO
表記:methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
組成式:C8 H10 N2 O4
SMILES:O=C(CCN1C=CC(=O)NC1=O)OC
InChi:InChI=1S/C8H10N2O4/c1-14-7(12)3-5-10-4-2-6(11)9-8(10)13/h2,4H,3,5H2,1H3,(H,9,11,13)
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate

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件を2024-08-07に公開中

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