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ZHW
ZHW
表記:(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate
組成式:C9 H10 F N O3 S
SMILES:FS(=O)(=O)Oc1cccc2c1CCC2N
InChi:InChI=1S/C9H10FNO3S/c10-15(12,13)14-9-3-1-2-6-7(9)4-5-8(6)11/h1-3,8H,4-5,11H2/t8-/m1/s1
定義日:2023-03-10
最終更新日:2023-11-03
公開日:2023-07-05
識別子（ID）:(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate
USC
USC
表記:5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
組成式:C9 H9 N O6 S
SMILES:O=S(=O)(Nc1cc(cc(c1)C(=O)O)C(=O)O)C
InChi:InChI=1S/C9H9NO6S/c1-17(15,16)10-7-3-5(8(11)12)2-6(4-7)9(13)14/h2-4,10H,1H3,(H,11,12)(H,13,14)
定義日:2011-12-08
最終更新日:2023-11-03
公開日:2013-01-11
識別子（ID）:5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
KMX
KMX
表記:1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one
組成式:C17 H21 N3 O S
SMILES:CC(=O)N1CCN(CC1)Cc1cnc(Cc2ccccc2)s1
InChi:InChI=1S/C17H21N3OS/c1-14(21)20-9-7-19(8-10-20)13-16-12-18-17(22-16)11-15-5-3-2-4-6-15/h2-6,12H,7-11,13H2,1H3
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one
XYX
XYX
表記:3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide
組成式:C24 H23 B N O5
SMILES:CC(=O)c1ccc(cc1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2
InChi:InChI=1S/C24H23BNO5/c1-16(27)17-8-10-18(11-9-17)20-5-3-7-22(14-20)26-23(28)13-12-19-4-2-6-21-15-31-25(29,30)24(19)21/h2-11,14,29-30H,12-13,15H2,1H3,(H,26,28)/q-1
定義日:2023-06-09
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide
ZIQ
ZIQ
表記:alpha-methyl-L-tryptophan
組成式:C12 H14 N2 O2
SMILES:NC(C(O)=O)(Cc1cnc2c1cccc2)C
InChi:InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)/t12-/m0/s1
定義日:2018-06-13
最終更新日:2023-11-03
公開日:2020-01-01
識別子（ID）:alpha-methyl-L-tryptophan
XZC
XZC
表記:3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide
組成式:C23 H23 B N O5
SMILES:COc1cccc(c1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2
InChi:InChI=1S/C23H23BNO5/c1-29-21-10-4-7-18(14-21)17-6-3-9-20(13-17)25-22(26)12-11-16-5-2-8-19-15-30-24(27,28)23(16)19/h2-10,13-14,27-28H,11-12,15H2,1H3,(H,25,26)/q-1
定義日:2023-06-09
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide
KNU
KNU
表記:N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide
組成式:C10 H11 Cl F N O
SMILES:Fc1cc(cc(Cl)c1)C(C)NC(C)=O
InChi:InChI=1S/C10H11ClFNO/c1-6(13-7(2)14)8-3-9(11)5-10(12)4-8/h3-6H,1-2H3,(H,13,14)/t6-/m0/s1
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide
VNW
VNW
表記:8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid
組成式:C11 H10 N2 O2 Se
SMILES:C[Se]c1cc(nc2c(N)cccc12)C(O)=O
InChi:InChI=1S/C11H10N2O2Se/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15)
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-10-11
識別子（ID）:8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid
VO8
VO8
表記:5-(2-{2-[2-oxo-3-(prop-2-enoyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethoxy}phenoxy)naphthalene-2-carbonitrile
組成式:C29 H23 N3 O4
SMILES:N#Cc1ccc2c(c1)cccc2Oc1ccccc1OCCN1c2ccccc2N(C(=O)CC)C1=O
InChi:InChI=1S/C29H23N3O4/c1-2-28(33)32-24-10-4-3-9-23(24)31(29(32)34)16-17-35-26-11-5-6-12-27(26)36-25-13-7-8-21-18-20(19-30)14-15-22(21)25/h3-15,18H,2,16-17H2,1H3
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:5-{2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile
VOI
VOI
表記:3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide
組成式:C20 H19 N3 O3
SMILES:CN(C)C(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
InChi:InChI=1S/C20H19N3O3/c1-22(2)20(24)9-11-25-18-6-3-4-7-19(18)26-17-8-5-10-23-14-15(13-21)12-16(17)23/h3-8,10,12,14H,9,11H2,1-2H3
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide
UU4
UU4
表記:(2S)-2-amino-4-(L-serylamino)butanoic acid
組成式:C7 H15 N3 O4
SMILES:O=C(NCCC(C(=O)O)N)C(N)CO
InChi:InChI=1S/C7H15N3O4/c8-4(7(13)14)1-2-10-6(12)5(9)3-11/h4-5,11H,1-3,8-9H2,(H,10,12)(H,13,14)/t4-,5-/m0/s1
定義日:2012-11-14
最終更新日:2023-11-03
公開日:2013-08-21
識別子（ID）:(2S)-2-amino-4-(L-serylamino)butanoic acid
VOU
VOU
表記:(4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile
組成式:C22 H21 N3 O3
SMILES:O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCCC1
InChi:InChI=1S/C22H21N3O3/c23-15-17-14-18-19(8-5-12-25(18)16-17)28-21-7-2-1-6-20(21)27-13-9-22(26)24-10-3-4-11-24/h1-2,5-8,12,14,16H,3-4,9-11,13H2
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile
KP0
KP0
表記:N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea
組成式:C20 H24 Cl N3 O
SMILES:O=C(Nc1cccnc1)N(CCC1CCCCC1)c1cccc(Cl)c1
InChi:InChI=1S/C20H24ClN3O/c21-17-8-4-10-19(14-17)24(13-11-16-6-2-1-3-7-16)20(25)23-18-9-5-12-22-15-18/h4-5,8-10,12,14-16H,1-3,6-7,11,13H2,(H,23,25)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea
JG3
JG3
表記:1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline
組成式:C15 H22 N2 O3
SMILES:O=C(O)C2N(CC(O)C(N)Cc1ccccc1)CCC2
InChi:InChI=1S/C15H22N2O3/c16-12(9-11-5-2-1-3-6-11)14(18)10-17-8-4-7-13(17)15(19)20/h1-3,5-6,12-14,18H,4,7-10,16H2,(H,19,20)/t12-,13-,14-/m0/s1
定義日:2010-09-13
最終更新日:2023-11-03
識別子（ID）:1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline
VP2
VP2
表記:3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide
組成式:C20 H17 F2 N3 O3
SMILES:FC(F)CNC(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
InChi:InChI=1S/C20H17F2N3O3/c21-19(22)12-24-20(26)7-9-27-17-4-1-2-5-18(17)28-16-6-3-8-25-13-14(11-23)10-15(16)25/h1-6,8,10,13,19H,7,9,12H2,(H,24,26)
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide
V9M
V9M
表記:(3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium
組成式:C15 H32 N O2
SMILES:C(C(C(C)C)[NH+](CCC(CC(C)(C)C)C)C)(O)=O
InChi:InChI=1S/C15H31NO2/c1-11(2)13(14(17)18)16(7)9-8-12(3)10-15(4,5)6/h11-13H,8-10H2,1-7H3,(H,17,18)/p+1/t12-,13-/m0/s1
定義日:2020-07-21
最終更新日:2023-11-03
公開日:2020-09-16
識別子（ID）:(3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium
YYA
YYA
表記:2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid
組成式:C11 H19 N O3
SMILES:O=C(O)C(NC)C(O)C(CC=C/C=C)C
InChi:InChI=1S/C11H19NO3/c1-4-5-6-7-8(2)10(13)9(12-3)11(14)15/h4-6,8-10,12-13H,1,7H2,2-3H3,(H,14,15)/b6-5-/t8-,9+,10-/m1/s1
定義日:2010-11-19
最終更新日:2023-11-03
識別子（ID）:2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid
KPF
KPF
表記:N-(1-carboxy-2-fluoro-ethenyl) lysine
組成式:C9 H15 F N2 O4
SMILES:N[CH](CCCCN=C(CF)C(O)=O)C(O)=O
InChi:InChI=1S/C9H15FN2O4/c10-5-7(9(15)16)12-4-2-1-3-6(11)8(13)14/h6H,1-5,11H2,(H,13,14)(H,15,16)/b12-7+/t6-/m0/s1
定義日:2015-07-15
最終更新日:2023-11-03
公開日:2015-11-18
識別子（ID）:(2S)-2-azanyl-6-[(Z)-(3-fluoranyl-1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]hexanoic acid
VPB
VPB
表記:(4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile
組成式:C22 H21 N3 O4
SMILES:O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCOCC1
InChi:InChI=1S/C22H21N3O4/c23-15-17-14-18-19(6-3-8-25(18)16-17)29-21-5-2-1-4-20(21)28-11-7-22(26)24-9-12-27-13-10-24/h1-6,8,14,16H,7,9-13H2
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile
KPN
KPN
表記:N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine
組成式:C16 H18 N4 O3
SMILES:O=C(O)CN(C(=O)Cc2cnc(c1ncccc1)cc2)CCN
InChi:InChI=1S/C16H18N4O3/c17-6-8-20(11-16(22)23)15(21)9-12-4-5-14(19-10-12)13-3-1-2-7-18-13/h1-5,7,10H,6,8-9,11,17H2,(H,22,23)
定義日:2010-04-20
最終更新日:2023-11-03
識別子（ID）:N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine
KPY
KPY
表記:(2R)-2-AZANYL-3-[2-[(E)-(1-OXIDANYL-1-OXIDANYLIDENE-PROPAN-2-YLIDENE)AMINO]ETHYLSULFANYL]PROPANOIC ACID
組成式:C8 H14 N2 O4 S
SMILES:O=C(O)C(N)CSCC/N=C(/C(=O)O)C
InChi:InChI=1S/C8H14N2O4S/c1-5(7(11)12)10-2-3-15-4-6(9)8(13)14/h6H,2-4,9H2,1H3,(H,11,12)(H,13,14)/b10-5+/t6-/m0/s1
別名:PYRUVOYL-L-THIALYSINE
定義日:2012-02-03
最終更新日:2023-11-03
公開日:2013-01-18
識別子（ID）:S-{2-[(E)-(1-carboxyethylidene)amino]ethyl}-L-cysteine
KQ3
KQ3
表記:N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea
組成式:C18 H21 Cl N4 O2
SMILES:Clc1cccc(c1)N(CCN1CCOCC1)C(=O)Nc1cccnc1
InChi:InChI=1S/C18H21ClN4O2/c19-15-3-1-5-17(13-15)23(8-7-22-9-11-25-12-10-22)18(24)21-16-4-2-6-20-14-16/h1-6,13-14H,7-12H2,(H,21,24)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea
VQ0
VQ0
表記:3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile
組成式:C19 H12 Cl3 N3 O4
SMILES:N#Cc1cc(cc(Cl)c1)Oc1ccc(Cl)cc1OCCN1C=C(Cl)C(=O)NC1=O
InChi:InChI=1S/C19H12Cl3N3O4/c20-12-1-2-16(29-14-6-11(9-23)5-13(21)7-14)17(8-12)28-4-3-25-10-15(22)18(26)24-19(25)27/h1-2,5-8,10H,3-4H2,(H,24,26,27)
定義日:2023-09-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile
YJF
YJF
表記:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol
組成式:C20 H27 N3 O11 S2
SMILES:OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)[S](=O)(=O)c4ccccc4)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C20H27N3O11S2/c24-7-10-14(26)13(23-6-12(21-22-23)36(31,32)9-4-2-1-3-5-9)16(28)19(33-10)35-20-18(30)17(29)15(27)11(8-25)34-20/h1-6,10-11,13-20,24-30H,7-8H2/t10-,11-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1
定義日:2023-06-19
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol
U2X
U2X
表記:O-(cyclohexylmethyl)-L-tyrosine
組成式:C16 H23 N O3
SMILES:O=C(O)C(N)Cc2ccc(OCC1CCCCC1)cc2
InChi:InChI=1S/C16H23NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11,17H2,(H,18,19)/t15-/m0/s1
定義日:2012-01-12
最終更新日:2023-11-03
識別子（ID）:O-(cyclohexylmethyl)-L-tyrosine

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