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7UT
7UT
表記:12-methoxylauric acid
組成式:C13 H26 O3
SMILES:COCCCCCCCCCCCC(O)=O
InChi:InChI=1S/C13H26O3/c1-16-12-10-8-6-4-2-3-5-7-9-11-13(14)15/h2-12H2,1H3,(H,14,15)
別名:12-methoxydodecanoic acid
定義日:2021-09-06
最終更新日:2023-01-20
公開日:2023-01-25
識別子（ID）:12-methoxydodecanoic acid
DQ4
DQ4
表記:5-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione
組成式:C13 H11 N3 O4
SMILES:O=C1NC(=O)CCC1N1C(=O)c2ccc(N)cc2C1=O
InChi:InChI=1S/C13H11N3O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9H,3-4,14H2,(H,15,17,18)/t9-/m1/s1
定義日:2021-11-30
最終更新日:2023-01-20
公開日:2023-01-25
識別子（ID）:5-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione
DUI
DUI
表記:4-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione
組成式:C13 H11 N3 O4
SMILES:O=C1NC(=O)CCC1N1C(=O)c2cccc(N)c2C1=O
InChi:InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m1/s1
定義日:2021-11-30
最終更新日:2023-01-20
公開日:2023-01-25
識別子（ID）:4-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione
IRU
IRU
表記:1~{H}-pyrazol-5-ylmethanol
組成式:C4 H6 N2 O
SMILES:OCc1[nH]ncc1
InChi:InChI=1S/C4H6N2O/c7-3-4-1-2-5-6-4/h1-2,7H,3H2,(H,5,6)
定義日:2022-04-11
最終更新日:2023-01-20
公開日:2023-01-25
識別子（ID）:1~{H}-pyrazol-5-ylmethanol
08O
08O
表記:(Z)-docos-13-enoic acid
組成式:C22 H42 O2
SMILES:CCCCCCCCC=CCCCCCCCCCCCC(O)=O
InChi:InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-
定義日:2022-01-19
最終更新日:2023-01-20
公開日:2023-01-25
識別子（ID）:(~{Z})-docos-13-enoic acid
MV0
MV0
表記:7-acetyl-4-methoxy-1-benzofuran-3(2H)-one
組成式:C11 H10 O4
SMILES:CC(=O)c1ccc(OC)c2c1OCC2=O
InChi:InChI=1S/C11H10O4/c1-6(12)7-3-4-9(14-2)10-8(13)5-15-11(7)10/h3-4H,5H2,1-2H3
定義日:2022-03-17
最終更新日:2023-01-20
公開日:2023-01-25
識別子（ID）:7-acetyl-4-methoxy-1-benzofuran-3(2H)-one
EUM
EUM
表記:~{N}-(2-aminophenyl)-4-[[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]benzamide
組成式:C22 H23 N5 O4 S
SMILES:Nc1ccccc1NC(=O)c2ccc(NCC(=O)NCc3ccc(cc3)[S](N)(=O)=O)cc2
InChi:InChI=1S/C22H23N5O4S/c23-19-3-1-2-4-20(19)27-22(29)16-7-9-17(10-8-16)25-14-21(28)26-13-15-5-11-18(12-6-15)32(24,30)31/h1-12,25H,13-14,23H2,(H,26,28)(H,27,29)(H2,24,30,31)
別名:N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylbenzyl)amino)ethyl)amino)benzamide
定義日:2022-01-17
最終更新日:2023-01-20
公開日:2023-01-25
識別子（ID）:~{N}-(2-aminophenyl)-4-[[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]benzamide
EWF
EWF
表記:2,3-dihydroindole-1-sulfonamide
組成式:C8 H10 N2 O2 S
SMILES:N[S](=O)(=O)N1CCc2ccccc12
InChi:InChI=1S/C8H10N2O2S/c9-13(11,12)10-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2,(H2,9,11,12)
別名:indoline-1-sulfonamide
定義日:2022-01-17
最終更新日:2023-01-20
公開日:2023-01-25
識別子（ID）:2,3-dihydroindole-1-sulfonamide
TXH
TXH
表記:~{tert}-butyl ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(2-methanoylhydrazinyl)-1-oxidanylidene-propan-2-yl]carbamate
組成式:C17 H22 N4 O4
SMILES:CC(C)(C)OC(=O)N[CH](Cc1c[nH]c2ccccc12)C(=O)NNC=O
InChi:InChI=1S/C17H22N4O4/c1-17(2,3)25-16(24)20-14(15(23)21-19-10-22)8-11-9-18-13-7-5-4-6-12(11)13/h4-7,9-10,14,18H,8H2,1-3H3,(H,19,22)(H,20,24)(H,21,23)/t14-/m0/s1
定義日:2023-01-13
最終更新日:2023-01-20
公開日:2023-01-25
識別子（ID）:~{tert}-butyl ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(2-methanoylhydrazinyl)-1-oxidanylidene-propan-2-yl]carbamate
L2U
L2U
表記:(2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid
組成式:C41 H57 N9 O13 S
SMILES:CC(C)C[CH](NC(=O)[CH]1C[CH](N)CN1C(=O)CC[CH](N[S](=O)(=O)c2ccc(NC(=O)c3ccc(cc3)C(N)=O)cc2)C(O)=O)C(=O)N(C)[CH](CCC(O)=O)C(=O)NCCCCC(N)=O
InChi:InChI=1S/C41H57N9O13S/c1-23(2)20-30(40(59)49(3)31(16-18-35(53)54)38(57)45-19-5-4-6-33(43)51)47-39(58)32-21-26(42)22-50(32)34(52)17-15-29(41(60)61)48-64(62,63)28-13-11-27(12-14-28)46-37(56)25-9-7-24(8-10-25)36(44)55/h7-14,23,26,29-32,48H,4-6,15-22,42H2,1-3H3,(H2,43,51)(H2,44,55)(H,45,57)(H,46,56)(H,47,58)(H,53,54)(H,60,61)/t26-,29+,30-,31-,32-/m0/s1
定義日:2022-11-08
最終更新日:2023-01-13
公開日:2023-01-18
識別子（ID）:(2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid
WNQ
WNQ
表記:4-(4-methylpiperazine-1-sulfonyl)benzamide
組成式:C12 H17 N3 O3 S
SMILES:CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(N)=O
InChi:InChI=1S/C12H17N3O3S/c1-14-6-8-15(9-7-14)19(17,18)11-4-2-10(3-5-11)12(13)16/h2-5H,6-9H2,1H3,(H2,13,16)
定義日:2022-10-04
最終更新日:2023-01-13
公開日:2023-01-18
識別子（ID）:4-(4-methylpiperazine-1-sulfonyl)benzamide
X0I
X0I
表記:(2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
組成式:C20 H20 F3 N3 O3
SMILES:O=C(NC(c1ccc(cc1)c1cc(F)c(F)c(F)c1)C(=O)NO)NC1CCCC1
InChi:InChI=1S/C20H20F3N3O3/c21-15-9-13(10-16(22)17(15)23)11-5-7-12(8-6-11)18(19(27)26-29)25-20(28)24-14-3-1-2-4-14/h5-10,14,18,29H,1-4H2,(H,26,27)(H2,24,25,28)/t18-/m1/s1
定義日:2022-10-25
最終更新日:2023-01-13
公開日:2023-01-18
識別子（ID）:(2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
X10
X10
表記:N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide
組成式:C22 H18 F3 N3 O3
SMILES:Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CNc1ccccc1)C(=O)NO
InChi:InChI=1S/C22H18F3N3O3/c23-17-10-15(11-18(24)20(17)25)13-6-8-14(9-7-13)21(22(30)28-31)27-19(29)12-26-16-4-2-1-3-5-16/h1-11,21,26,31H,12H2,(H,27,29)(H,28,30)/t21-/m1/s1
定義日:2022-10-25
最終更新日:2023-01-13
公開日:2023-01-18
識別子（ID）:N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide
X4I
X4I
表記:N~2~-(3,5-difluorophenyl)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]glycinamide
組成式:C22 H16 F5 N3 O3
SMILES:Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CNc1cc(F)cc(F)c1)C(=O)NO
InChi:InChI=1S/C22H16F5N3O3/c23-14-7-15(24)9-16(8-14)28-10-19(31)29-21(22(32)30-33)12-3-1-11(2-4-12)13-5-17(25)20(27)18(26)6-13/h1-9,21,28,33H,10H2,(H,29,31)(H,30,32)/t21-/m1/s1
定義日:2022-10-27
最終更新日:2023-01-13
公開日:2023-01-18
識別子（ID）:N~2~-(3,5-difluorophenyl)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]glycinamide
X4O
X4O
表記:N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide
組成式:C16 H15 Br F N3 O3
SMILES:Brc1ccc(cc1)C(NC(=O)CNc1ccc(F)cc1)C(=O)NO
InChi:InChI=1S/C16H15BrFN3O3/c17-11-3-1-10(2-4-11)15(16(23)21-24)20-14(22)9-19-13-7-5-12(18)6-8-13/h1-8,15,19,24H,9H2,(H,20,22)(H,21,23)/t15-/m1/s1
定義日:2022-10-27
最終更新日:2023-01-13
公開日:2023-01-18
識別子（ID）:N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide
X4T
X4T
表記:N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-phenylglycinamide
組成式:C16 H16 Br N3 O3
SMILES:Brc1ccc(cc1)C(NC(=O)CNc1ccccc1)C(=O)NO
InChi:InChI=1S/C16H16BrN3O3/c17-12-8-6-11(7-9-12)15(16(22)20-23)19-14(21)10-18-13-4-2-1-3-5-13/h1-9,15,18,23H,10H2,(H,19,21)(H,20,22)/t15-/m1/s1
定義日:2022-10-27
最終更新日:2023-01-13
公開日:2023-01-18
識別子（ID）:N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-phenylglycinamide
X68
X68
表記:N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(3-fluorophenyl)glycinamide
組成式:C16 H15 Br F N3 O3
SMILES:Brc1ccc(cc1)C(NC(=O)CNc1cccc(F)c1)C(=O)NO
InChi:InChI=1S/C16H15BrFN3O3/c17-11-6-4-10(5-7-11)15(16(23)21-24)20-14(22)9-19-13-3-1-2-12(18)8-13/h1-8,15,19,24H,9H2,(H,20,22)(H,21,23)/t15-/m1/s1
定義日:2022-10-31
最終更新日:2023-01-13
公開日:2023-01-18
識別子（ID）:N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(3-fluorophenyl)glycinamide
1KI
1KI
表記:2-bromanyl-4-[(~{E})-2-[6-[2-(2-fluoranylethoxy)ethyl-methyl-amino]-5-methyl-1,3-benzothiazol-2-yl]ethenyl]phenol
組成式:C21 H22 Br F N2 O2 S
SMILES:CN(CCOCCF)c1cc2sc(C=Cc3ccc(O)c(Br)c3)nc2cc1C
InChi:InChI=1S/C21H22BrFN2O2S/c1-14-11-17-20(13-18(14)25(2)8-10-27-9-7-23)28-21(24-17)6-4-15-3-5-19(26)16(22)12-15/h3-6,11-13,26H,7-10H2,1-2H3/b6-4+
定義日:2022-01-24
最終更新日:2023-01-13
公開日:2023-01-18
識別子（ID）:2-bromanyl-4-[(~{E})-2-[6-[2-(2-fluoranylethoxy)ethyl-methyl-amino]-5-methyl-1,3-benzothiazol-2-yl]ethenyl]phenol
I3L
I3L
表記:allyl-cysteine
組成式:C6 H11 N O2 S
SMILES:N[CH](CSCC=C)C(O)=O
InChi:InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1
定義日:2022-02-10
最終更新日:2023-01-13
公開日:2023-01-18
識別子（ID）:(2~{R})-2-azanyl-3-prop-2-enylsulfanyl-propanoic acid
I5D
I5D
表記:2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide
組成式:C19 H17 N5 O2 S
SMILES:NC(=O)CSc1nc(N)c(C#N)c(c2ccc(OCC3CC3)cc2)c1C#N
InChi:InChI=1S/C19H17N5O2S/c20-7-14-17(12-3-5-13(6-4-12)26-9-11-1-2-11)15(8-21)19(24-18(14)23)27-10-16(22)25/h3-6,11H,1-2,9-10H2,(H2,22,25)(H2,23,24)
定義日:2022-06-09
最終更新日:2023-01-13
公開日:2023-01-18
識別子（ID）:2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide
I5Q
I5Q
表記:(2S)-butane-1,2-diol
組成式:C4 H10 O2
SMILES:CCC(O)CO
InChi:InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m0/s1
定義日:2022-01-13
最終更新日:2023-01-13
公開日:2023-01-18
識別子（ID）:(2S)-butane-1,2-diol
I5Y
I5Y
表記:(6S,9R,20R,23S)-N-{[4-(aminomethyl)phenyl]methyl}-20-[(benzenesulfonyl)amino]-3,13,21-trioxo-2,6,9,14,22-pentaazatetracyclo[23.2.2.2~6,9~.2~15,18~]tritriaconta-1(27),15,17,25,28,30-hexaene-23-carboxamide
組成式:C43 H52 N8 O6 S
SMILES:NCc1ccc(cc1)CNC(=O)C1Cc2ccc(NC(=O)CCN3CCN(CCCC(=O)Nc4ccc(CC(NS(=O)(=O)c5ccccc5)C(=O)N1)cc4)CC3)cc2
InChi:InChI=1S/C43H52N8O6S/c44-29-33-8-10-34(11-9-33)30-45-42(54)38-27-31-12-16-36(17-13-31)47-41(53)20-22-51-25-23-50(24-26-51)21-4-7-40(52)46-35-18-14-32(15-19-35)28-39(43(55)48-38)49-58(56,57)37-5-2-1-3-6-37/h1-3,5-6,8-19,38-39,49H,4,7,20-30,44H2,(H,45,54)(H,46,52)(H,47,53)(H,48,55)/t38-,39+/m0/s1
定義日:2022-01-13
最終更新日:2023-01-13
公開日:2023-01-18
識別子（ID）:(6S,9R,20R,23S)-N-{[4-(aminomethyl)phenyl]methyl}-20-[(benzenesulfonyl)amino]-3,13,21-trioxo-2,6,9,14,22-pentaazatetracyclo[23.2.2.2~6,9~.2~15,18~]tritriaconta-1(27),15,17,25,28,30-hexaene-23-carboxamide
F9I
F9I
表記:(2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid
組成式:C35 H49 N3 O23 S2
SMILES:CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[CH]2O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O[C]3(C[CH](O)[CH](NC(C)=O)[CH](O3)[CH](O)[CH](O)CN[S](=O)(=O)c4ccc5ccccc5c4)C(O)=O)[CH]2O)[CH]1O
InChi:InChI=1S/C35H49N3O23S2/c1-14(40)37-23-19(42)10-35(34(49)50,60-30(23)25(44)20(43)11-36-62(51,52)18-8-7-16-5-3-4-6-17(16)9-18)61-31-26(45)22(13-56-63(53,54)55)58-33(28(31)47)59-29-21(12-39)57-32(48)24(27(29)46)38-15(2)41/h3-9,19-33,36,39,42-48H,10-13H2,1-2H3,(H,37,40)(H,38,41)(H,49,50)(H,53,54,55)/t19-,20+,21+,22+,23+,24+,25+,26-,27+,28+,29+,30+,31-,32+,33-,35-/m0/s1
定義日:2022-01-19
最終更新日:2023-01-13
公開日:2023-01-18
識別子（ID）:(2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid
EIQ
EIQ
表記:~{N}-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
組成式:C18 H16 N2 O2 S
SMILES:O=[S](=O)(Nc1ccc(Cc2ccncc2)cc1)c3ccccc3
InChi:InChI=1S/C18H16N2O2S/c21-23(22,18-4-2-1-3-5-18)20-17-8-6-15(7-9-17)14-16-10-12-19-13-11-16/h1-13,20H,14H2
定義日:2022-01-07
最終更新日:2023-01-13
公開日:2023-01-18
識別子（ID）:~{N}-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
CXI
CXI
表記:2-(3-phenyloxetan-3-yl)ethanamine
組成式:C11 H15 N O
SMILES:NCCC1(COC1)c2ccccc2
InChi:InChI=1S/C11H15NO/c12-7-6-11(8-13-9-11)10-4-2-1-3-5-10/h1-5H,6-9,12H2
定義日:2022-04-06
最終更新日:2023-01-13
公開日:2023-01-18
識別子（ID）:2-(3-phenyloxetan-3-yl)ethanamine

224201

件を2024-08-28に公開中

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