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V03
V03
表記:(3S)-3-amino-3-(4-methoxyphenyl)propan-1-ol
組成式:C10 H15 N O2
SMILES:COc1ccc(cc1)C(N)CCO
InChi:InChI=1S/C10H15NO2/c1-13-9-4-2-8(3-5-9)10(11)6-7-12/h2-5,10,12H,6-7,11H2,1H3/t10-/m0/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）:(3S)-3-amino-3-(4-methoxyphenyl)propan-1-ol
VUN
VUN
表記:4-{[(propan-2-yl)oxy]methyl}benzoic acid
組成式:C11 H14 O3
SMILES:O=C(O)c1ccc(COC(C)C)cc1
InChi:InChI=1S/C11H14O3/c1-8(2)14-7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(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）:4-{[(propan-2-yl)oxy]methyl}benzoic acid
VV0
VV0
表記:4-amino-3-methyl-N-(propan-2-yl)benzamide
組成式:C11 H16 N2 O
SMILES:Cc1cc(ccc1N)C(=O)NC(C)C
InChi:InChI=1S/C11H16N2O/c1-7(2)13-11(14)9-4-5-10(12)8(3)6-9/h4-7H,12H2,1-3H3,(H,13,14)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:4-amino-3-methyl-N-(propan-2-yl)benzamide
WD8
WD8
表記:methyl N-(propan-2-yl)-N-(thiophene-3-carbonyl)glycinate
組成式:C11 H15 N O3 S
SMILES:O=C(N(CC(=O)OC)C(C)C)c1ccsc1
InChi:InChI=1S/C11H15NO3S/c1-8(2)12(6-10(13)15-3)11(14)9-4-5-16-7-9/h4-5,7-8H,6H2,1-3H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:methyl N-(propan-2-yl)-N-(thiophene-3-carbonyl)glycinate
VVK
VVK
表記:N-(2-methoxyphenyl)-2-methyl-L-alanine
組成式:C11 H15 N O3
SMILES:COc1ccccc1NC(C)(C)C(=O)O
InChi:InChI=1S/C11H15NO3/c1-11(2,10(13)14)12-8-6-4-5-7-9(8)15-3/h4-7,12H,1-3H3,(H,13,14)
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-(2-methoxyphenyl)-2-methyl-L-alanine
VVR
VVR
表記:3-phenoxypropanoic acid
組成式:C9 H10 O3
SMILES:O=C(O)CCOc1ccccc1
InChi:InChI=1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
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-phenoxypropanoic acid
VW3
VW3
表記:N-hydroxy-3-phenoxypropanamide
組成式:C9 H11 N O3
SMILES:ONC(=O)CCOc1ccccc1
InChi:InChI=1S/C9H11NO3/c11-9(10-12)6-7-13-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)
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-hydroxy-3-phenoxypropanamide
VH9
VH9
表記:(1R)-1-(4-fluorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol
組成式:C11 H16 F N O
SMILES:OC(CNC(C)C)c1ccc(F)cc1
InChi:InChI=1S/C11H16FNO/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m0/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-fluorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol
VIP
VIP
表記:3-[(2S)-2-amino-1-hydroxypropan-2-yl]phenol
組成式:C9 H13 N O2
SMILES:NC(C)(CO)c1cc(O)ccc1
InChi:InChI=1S/C9H13NO2/c1-9(10,6-11)7-3-2-4-8(12)5-7/h2-5,11-12H,6,10H2,1H3/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）:3-[(2S)-2-amino-1-hydroxypropan-2-yl]phenol
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
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
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
KQI
KQI
表記:6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide
組成式:C19 H27 N5 O4
SMILES:C[CH](O)[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N-])C=O
InChi:InChI=1S/C19H27N5O4/c1-14(26)17(13-25)23-19(28)16(12-15-8-4-2-5-9-15)22-18(27)10-6-3-7-11-21-24-20/h2,4-5,8-9,13-14,16-17,26H,3,6-7,10-12H2,1H3,(H,22,27)(H,23,28)/t14-,16+,17-/m1/s1
別名:Beta-lactone antibacterial agent (open form)
定義日:2022-06-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:6-azido-~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide
KQN
KQN
表記:6-azido-N-[(2S)-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+/m0/s1
別名:Beta-lactone antibacterial agent (open form)
定義日:2022-06-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:6-azido-~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide
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
U39
U39
表記:2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
組成式:C18 H20 N2 O4 S
SMILES:O=S(=O)(Nc1ccccc1C(=O)Nc1ccccc1OCC)C1CC1
InChi:InChI=1S/C18H20N2O4S/c1-2-24-17-10-6-5-9-16(17)19-18(21)14-7-3-4-8-15(14)20-25(22,23)13-11-12-13/h3-10,13,20H,2,11-12H2,1H3,(H,19,21)
定義日:2022-08-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
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

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