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IJL
IJL
表記:4-iodanylbenzamide
組成式:C7 H6 I N O
SMILES:NC(=O)c1ccc(I)cc1
InChi:InChI=1S/C7H6INO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
定義日:2022-03-22
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:4-iodanylbenzamide
IJO
IJO
表記:4-bromanyl-2-methoxy-pyridine
組成式:C6 H6 Br N O
SMILES:COc1cc(Br)ccn1
InChi:InChI=1S/C6H6BrNO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3
定義日:2022-03-22
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:4-bromanyl-2-methoxy-pyridine
IJR
IJR
表記:(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide
組成式:C8 H11 Br N2 O2
SMILES:C[CH](NC(C)=O)C(=O)NCC#CBr
InChi:InChI=1S/C8H11BrN2O2/c1-6(11-7(2)12)8(13)10-5-3-4-9/h6H,5H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1
定義日:2022-03-22
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide
IJU
IJU
表記:4-bromanyl-2-(methoxymethyl)pyridine
組成式:C7 H8 Br N O
SMILES:COCc1cc(Br)ccn1
InChi:InChI=1S/C7H8BrNO/c1-10-5-7-4-6(8)2-3-9-7/h2-4H,5H2,1H3
定義日:2022-03-22
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:4-bromanyl-2-(methoxymethyl)pyridine
IJX
IJX
表記:~{N}-(4-bromophenyl)ethanamide
組成式:C8 H8 Br N O
SMILES:CC(=O)Nc1ccc(Br)cc1
InChi:InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
定義日:2022-03-22
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:~{N}-(4-bromophenyl)ethanamide
IK3
IK3
表記:(2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide
組成式:C14 H18 N2 O3
SMILES:CC(=O)N[CH](Cc1ccc(O)cc1)C(=O)NCC=C
InChi:InChI=1S/C14H18N2O3/c1-3-8-15-14(19)13(16-10(2)17)9-11-4-6-12(18)7-5-11/h3-7,13,18H,1,8-9H2,2H3,(H,15,19)(H,16,17)/t13-/m0/s1
定義日:2022-03-22
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide
IS0
IS0
表記:4-bromanyl-1,2-dimethoxy-benzene
組成式:C8 H9 Br O2
SMILES:COc1ccc(Br)cc1OC
InChi:InChI=1S/C8H9BrO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
定義日:2022-04-11
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:4-bromanyl-1,2-dimethoxy-benzene
IS6
IS6
表記:(2R)-N-(3-bromanylprop-2-ynyl)-1-ethanoyl-pyrrolidine-2-carboxamide
組成式:C10 H13 Br N2 O2
SMILES:CC(=O)N1CCC[CH]1C(=O)NCC#CBr
InChi:InChI=1S/C10H13BrN2O2/c1-8(14)13-7-2-4-9(13)10(15)12-6-3-5-11/h9H,2,4,6-7H2,1H3,(H,12,15)/t9-/m1/s1
定義日:2022-04-12
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(2~{R})-~{N}-(3-bromanylprop-2-ynyl)-1-ethanoyl-pyrrolidine-2-carboxamide
ISK
ISK
表記:2-acetamido-N-(3-bromanylprop-2-ynyl)ethanamide
組成式:C7 H9 Br N2 O2
SMILES:CC(=O)NCC(=O)NCC#CBr
InChi:InChI=1S/C7H9BrN2O2/c1-6(11)10-5-7(12)9-4-2-3-8/h4-5H2,1H3,(H,9,12)(H,10,11)
定義日:2022-04-11
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:2-acetamido-~{N}-(3-bromanylprop-2-ynyl)ethanamide
IT4
IT4
表記:4-bromanyl-2-oxidanyl-benzoic acid
組成式:C7 H5 Br O3
SMILES:OC(=O)c1ccc(Br)cc1O
InChi:InChI=1S/C7H5BrO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
定義日:2022-04-11
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:4-bromanyl-2-oxidanyl-benzoic acid
IT8
IT8
表記:(2R)-2-acetamido-N-(3-bromanylprop-2-ynyl)-3-methyl-butanamide
組成式:C10 H15 Br N2 O2
SMILES:CC(C)[CH](NC(C)=O)C(=O)NCC#CBr
InChi:InChI=1S/C10H15BrN2O2/c1-7(2)9(13-8(3)14)10(15)12-6-4-5-11/h7,9H,6H2,1-3H3,(H,12,15)(H,13,14)/t9-/m1/s1
定義日:2022-04-12
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(2~{R})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-butanamide
IV1
IV1
表記:(1R,3S,5Z)-5-[(E)-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol
組成式:C32 H50 O4
SMILES:CC(C)(O)CCCCCc1cc(CCCCCC(C)(C)O)cc(C=CC=C2C[CH](O)C[CH](O)C2=C)c1
InChi:InChI=1S/C32H50O4/c1-24-28(22-29(33)23-30(24)34)16-12-15-27-20-25(13-8-6-10-17-31(2,3)35)19-26(21-27)14-9-7-11-18-32(4,5)36/h12,15-16,19-21,29-30,33-36H,1,6-11,13-14,17-18,22-23H2,2-5H3/b15-12+,28-16-/t29-,30+/m1/s1
定義日:2022-04-13
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(1~{R},3~{S},5~{Z})-5-[(~{E})-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol
IV5
IV5
表記:(1R,3S,5Z)-4-methylidene-5-[(E)-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol
組成式:C32 H50 O4
SMILES:CC(C)(O)CCCCCc1cccc(c1)C(CCCCCC(C)(C)O)=CC=C2C[CH](O)C[CH](O)C2=C
InChi:InChI=1S/C32H50O4/c1-24-27(22-29(33)23-30(24)34)18-17-26(15-9-7-11-20-32(4,5)36)28-16-12-14-25(21-28)13-8-6-10-19-31(2,3)35/h12,14,16-18,21,29-30,33-36H,1,6-11,13,15,19-20,22-23H2,2-5H3/b26-17+,27-18-/t29-,30+/m1/s1
定義日:2022-04-13
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol
WUW
WUW
表記:(1R,4R,5R,6S)-2-(methanesulfonyl)-4,6-dimethoxy-2-azabicyclo[3.3.1]nonane
組成式:C11 H21 N O4 S
SMILES:CS(=O)(=O)N1CC(OC)C2CC1CCC2OC
InChi:InChI=1S/C11H21NO4S/c1-15-10-5-4-8-6-9(10)11(16-2)7-12(8)17(3,13)14/h8-11H,4-7H2,1-3H3/t8-,9-,10+,11+/m1/s1
定義日:2022-10-20
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(1R,4R,5R,6S)-2-(methanesulfonyl)-4,6-dimethoxy-2-azabicyclo[3.3.1]nonane
WV0
WV0
表記:5-fluoro-1,3-dihydro-2H-indol-2-one
組成式:C8 H6 F N O
SMILES:Fc1cc2CC(=O)Nc2cc1
InChi:InChI=1S/C8H6FNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
定義日:2022-10-20
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:5-fluoro-1,3-dihydro-2H-indol-2-one
XCK
XCK
表記:N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide
組成式:C24 H36 N4 O4 S
SMILES:CC(C)CC(NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)NC(CC1CCNC1=O)C=N
InChi:InChI=1S/C24H36N4O4S/c1-16(2)12-20(22(30)27-18(14-25)13-17-10-11-26-21(17)29)28-23(31)32-15-24(3,4)33-19-8-6-5-7-9-19/h5-9,14,16-18,20,25H,10-13,15H2,1-4H3,(H,26,29)(H,27,30)(H,28,31)/b25-14-/t17-,18-,20-/m0/s1
定義日:2022-11-11
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide
XF8
XF8
表記:(2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(2~{S},3~{S})-3-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
組成式:C28 H42 N4 O9 S2
SMILES:CC(C)CC(NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)(C(=O)NC1CC1)S(=O)(=O)O
InChi:InChI=1S/C28H42N4O9S2/c1-17(2)14-21(31-26(36)41-16-27(3,4)42-20-8-6-5-7-9-20)24(34)32-22(15-18-12-13-29-23(18)33)28(37,43(38,39)40)25(35)30-19-10-11-19/h5-9,17-19,21-22,37H,10-16H2,1-4H3,(H,29,33)(H,30,35)(H,31,36)(H,32,34)(H,38,39,40)/t18-,21-,22-,28-/m0/s1
定義日:2022-11-14
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(2S,3S)-1-(cyclopropylamino)-2-hydroxy-3-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-1-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butane-2-sulfonic acid
XFF
XFF
表記:(2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
組成式:C24 H37 N3 O8 S2
SMILES:CC(C)CC(NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C24H37N3O8S2/c1-15(2)12-18(27-23(31)35-14-24(3,4)36-17-8-6-5-7-9-17)21(29)26-19(22(30)37(32,33)34)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t16-,18-,19-,22-/m0/s1
定義日:2022-11-14
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(1S,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
IWQ
IWQ
表記:(2S)-2-[[(2S)-2-[2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
組成式:C32 H35 N9 O8
SMILES:NC1=Nc2nc(cnc2C(=O)N1)C(=O)NCC(=O)N[CH](Cc3ccccc3)C(=O)N[CH](CCCCNC(=O)OCc4ccccc4)C(O)=O
InChi:InChI=1S/C32H35N9O8/c33-31-40-26-25(29(45)41-31)35-16-23(38-26)27(43)36-17-24(42)37-22(15-19-9-3-1-4-10-19)28(44)39-21(30(46)47)13-7-8-14-34-32(48)49-18-20-11-5-2-6-12-20/h1-6,9-12,16,21-22H,7-8,13-15,17-18H2,(H,34,48)(H,36,43)(H,37,42)(H,39,44)(H,46,47)(H3,33,38,40,41,45)/t21-,22-/m0/s1
定義日:2022-07-27
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:(2~{S})-2-[[(2~{S})-2-[2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
5YG
5YG
表記:~{N}-[(4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)aniline
組成式:C20 H20 N2 O
SMILES:COc1ccc(CNc2ccc(Cc3ccncc3)cc2)cc1
InChi:InChI=1S/C20H20N2O/c1-23-20-8-4-18(5-9-20)15-22-19-6-2-16(3-7-19)14-17-10-12-21-13-11-17/h2-13,22H,14-15H2,1H3
定義日:2021-07-15
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:~{N}-[(4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)aniline
8IF
8IF
表記:(2~{S},4~{S})-1-(4-methoxy-5-methyl-2-oxidanylidene-3~{H}-furan-3-yl)-2,4-dimethyl-dodecane-1,5-dione
組成式:C20 H32 O5
SMILES:CCCCCCCC(=O)[CH](C)C[CH](C)C(=O)[CH]1C(=O)OC(=C1OC)C
InChi:InChI=1S/C20H32O5/c1-6-7-8-9-10-11-16(21)13(2)12-14(3)18(22)17-19(24-5)15(4)25-20(17)23/h13-14,17H,6-12H2,1-5H3/t13-,14-,17+/m0/s1
定義日:2021-10-19
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:(2~{S},4~{S})-1-(4-methoxy-5-methyl-2-oxidanylidene-3~{H}-furan-3-yl)-2,4-dimethyl-dodecane-1,5-dione
8IS
8IS
表記:N-[(2S)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide
組成式:C24 H32 N2 O2
SMILES:O[CH](CNCC1CCCCC1)CNC(=O)C(c2ccccc2)c3ccccc3
InChi:InChI=1S/C24H32N2O2/c27-22(17-25-16-19-10-4-1-5-11-19)18-26-24(28)23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h2-3,6-9,12-15,19,22-23,25,27H,1,4-5,10-11,16-18H2,(H,26,28)/t22-/m0/s1
別名:N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide
定義日:2021-10-21
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:~{N}-[(2~{S})-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide
8IV
8IV
表記:N-[(2R)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide
組成式:C24 H32 N2 O2
SMILES:O[CH](CNCC1CCCCC1)CNC(=O)C(c2ccccc2)c3ccccc3
InChi:InChI=1S/C24H32N2O2/c27-22(17-25-16-19-10-4-1-5-11-19)18-26-24(28)23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h2-3,6-9,12-15,19,22-23,25,27H,1,4-5,10-11,16-18H2,(H,26,28)/t22-/m1/s1
別名:N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide
定義日:2021-10-21
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:~{N}-[(2~{R})-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide
AKF
AKF
表記:(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluoro-3-hydroxyphenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate
組成式:C20 H24 F N3 O3 S
SMILES:O=C(OC1CN2CCC1CC2)NC(C)(C)c1csc(n1)c1cc(O)c(F)cc1
InChi:InChI=1S/C20H24FN3O3S/c1-20(2,23-19(26)27-16-10-24-7-5-12(16)6-8-24)17-11-28-18(22-17)13-3-4-14(21)15(25)9-13/h3-4,9,11-12,16,25H,5-8,10H2,1-2H3,(H,23,26)/t16-/m1/s1
定義日:2021-11-09
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluoro-3-hydroxyphenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate
K4C
K4C
表記:ethyl 5-propyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
組成式:C16 H17 N5 O2
SMILES:CCCc1nc2ncnn2c(c3ccncc3)c1C(=O)OCC
InChi:InChI=1S/C16H17N5O2/c1-3-5-12-13(15(22)23-4-2)14(11-6-8-17-9-7-11)21-16(20-12)18-10-19-21/h6-10H,3-5H2,1-2H3
定義日:2022-05-19
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:ethyl 5-propyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

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