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NH4
NH4
表記:AMMONIUM ION
組成式:H4 N
SMILES:[NH4+]
InChi:InChI=1S/H3N/h1H3/p+1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:ammonium
NHA
NHA
表記:C-DEHYDROXY-C-AMINO-ASPARAGINE
組成式:C4 H9 N3 O2
SMILES:NC(CC(N)=O)C(N)=O
InChi:InChI=1S/C4H9N3O2/c5-2(4(7)9)1-3(6)8/h2H,1,5H2,(H2,6,8)(H2,7,9)
定義日:1999-07-08
最終更新日:2024-09-27
公開日:2023-01-18
識別子（ID）:(2R)-2-aminobutanediamide
NHN
NHN
表記:(6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE
組成式:C42 H56 N6 O9
SMILES:O=C(N(C)C)C(c1ccccc1)NC(=O)CNC(=O)C(=O)C(NC(=O)C2N3C(=O)C(NC(=O)CCc4cccc(OCCOC(C2)C3)c4)C5CCCCC5)CCC
InChi:InChI=1S/C42H56N6O9/c1-4-12-32(38(51)40(53)43-25-35(50)46-36(41(54)47(2)3)28-14-7-5-8-15-28)44-39(52)33-24-31-26-48(33)42(55)37(29-16-9-6-10-17-29)45-34(49)20-19-27-13-11-18-30(23-27)56-21-22-57-31/h5,7-8,11,13-15,18,23,29,31-33,36-37H,4,6,9-10,12,16-17,19-22,24-26H2,1-3H3,(H,43,53)(H,44,52)(H,45,49)(H,46,50)/t31-,32+,33+,36+,37+/m1/s1
定義日:2006-05-11
最終更新日:2024-09-27
識別子（ID）:(6R,8S,11S)-11-cyclohexyl-N-[(1S)-1-{[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}butyl]-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.1~6,9~]henicosa-1(20),16,18-triene-8-carboxamide
NIB
NIB
表記:N-[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide
組成式:C22 H29 Cl2 N3 O3
SMILES:ClCC(=O)N1CCC2(CC1)CC(C2)NC(=O)C3(CCOCC3)Nc4ccc(Cl)cc4
InChi:InChI=1S/C22H29Cl2N3O3/c23-15-19(28)27-9-5-21(6-10-27)13-18(14-21)25-20(29)22(7-11-30-12-8-22)26-17-3-1-16(24)2-4-17/h1-4,18,26H,5-15H2,(H,25,29)
定義日:2022-08-17
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:~{N}-[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide
NIN
NIN
表記:DINITROPHENYLENE
組成式:C6 H4 N2 O4
SMILES:O=[N+]([O-])c1cccc([N+]([O-])=O)c1
InChi:InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
定義日:2001-01-26
最終更新日:2024-09-27
識別子（ID）:1,3-dinitrobenzene
NIT
NIT
表記:4-NITROANILINE
組成式:C6 H6 N2 O2
SMILES:O=[N+]([O-])c1ccc(N)cc1
InChi:InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2
別名:PARANITROANILINE
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:4-nitroaniline
NIY
NIY
表記:META-NITRO-TYROSINE
組成式:C9 H10 N2 O5
SMILES:O=[N+]([O-])c1cc(ccc1O)CC(C(=O)O)N
InChi:InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1
定義日:2001-10-24
最終更新日:2024-09-27
識別子（ID）:3-nitro-L-tyrosine
NJ3
NJ3
表記:2-chloranyl-1-[3-[(2R,6S)-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonyl-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
組成式:C25 H35 Cl2 N3 O3
SMILES:C[CH]1CC(C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CCC4(CCN(CC4)C(=O)CCl)CC3
InChi:InChI=1S/C25H35Cl2N3O3/c1-18-15-25(16-19(2)33-18,28-21-5-3-20(27)4-6-21)23(32)30-13-9-24(10-14-30)7-11-29(12-8-24)22(31)17-26/h3-6,18-19,28H,7-17H2,1-2H3/t18-,19+,25+
定義日:2022-08-17
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:2-chloranyl-1-[3-[(2~{R},6~{S})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonyl-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
UFP
UFP
表記:5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
組成式:C9 H12 F N2 O8 P
SMILES:FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2'-deoxy-5-fluorouridine 5'-(dihydrogen phosphate)
UFT
UFT
表記:2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)
組成式:C9 H12 F N2 O8 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(F)C2O
InChi:InChI=1S/C9H12FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,11,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
定義日:2008-07-07
最終更新日:2024-09-27
識別子（ID）:2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)
UFY
UFY
表記:N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide
組成式:C19 H25 B N4 O4
SMILES:c1cncc(n1)C(NC(Cc2ccccc2)C(=O)NC(CC(C)C)B(O)O)=O
InChi:InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m1/s1
定義日:2020-05-15
最終更新日:2024-09-27
公開日:2021-04-14
識別子（ID）:N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide
UG2
UG2
表記:[4-(2-phenylimidazol-1-yl)phenyl]methanol
組成式:C16 H14 N2 O
SMILES:OCc1ccc(cc1)n2ccnc2c3ccccc3
InChi:InChI=1S/C16H14N2O/c19-12-13-6-8-15(9-7-13)18-11-10-17-16(18)14-4-2-1-3-5-14/h1-11,19H,12H2
定義日:2021-02-16
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:[4-(2-phenylimidazol-1-yl)phenyl]methanol
UG5
UG5
表記:4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde
組成式:C11 H7 F3 N2 O
SMILES:FC(F)(F)c1cn(cn1)c2ccc(C=O)cc2
InChi:InChI=1S/C11H7F3N2O/c12-11(13,14)10-5-16(7-15-10)9-3-1-8(6-17)2-4-9/h1-7H
定義日:2021-02-16
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde
UG8
UG8
表記:4-piperidin-1-ylsulfonylbenzaldehyde
組成式:C12 H15 N O3 S
SMILES:O=Cc1ccc(cc1)[S](=O)(=O)N2CCCCC2
InChi:InChI=1S/C12H15NO3S/c14-10-11-4-6-12(7-5-11)17(15,16)13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2
定義日:2021-02-16
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-piperidin-1-ylsulfonylbenzaldehyde
UGE
UGE
表記:4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde
組成式:C16 H15 N O3 S
SMILES:O=Cc1ccc(cc1)[S](=O)(=O)N2CCCc3ccccc23
InChi:InChI=1S/C16H15NO3S/c18-12-13-7-9-15(10-8-13)21(19,20)17-11-3-5-14-4-1-2-6-16(14)17/h1-2,4,6-10,12H,3,5,11H2
定義日:2021-02-16
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde
UGN
UGN
表記:1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
組成式:C15 H24 N2 O2 S
SMILES:CC(C)CN1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2
InChi:InChI=1S/C15H24N2O2S/c1-13(2)12-16-8-10-17(11-9-16)20(18,19)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3
定義日:2021-02-17
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
UGQ
UGQ
表記:2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline
組成式:C16 H17 N O2 S
SMILES:Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc3C2
InChi:InChI=1S/C16H17NO2S/c1-13-6-8-16(9-7-13)20(18,19)17-11-10-14-4-2-3-5-15(14)12-17/h2-9H,10-12H2,1H3
定義日:2021-02-17
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline
UHC
UHC
表記:~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneoctanethioate
組成式:C19 H35 N2 O9 P S
SMILES:CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
InChi:InChI=1S/C19H35N2O9PS/c1-4-5-6-7-14(22)12-16(24)32-11-10-20-15(23)8-9-21-18(26)17(25)19(2,3)13-30-31(27,28)29/h17,25H,4-13H2,1-3H3,(H,20,23)(H,21,26)(H2,27,28,29)/t17-/m1/s1
定義日:2023-06-02
最終更新日:2024-09-27
公開日:2023-11-15
識別子（ID）:~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneoctanethioate
UHN
UHN
表記:4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde
組成式:C16 H22 N2 O3 S
SMILES:O=Cc1ccc(cc1)[S](=O)(=O)N2CCC(CC2)N3CCCC3
InChi:InChI=1S/C16H22N2O3S/c19-13-14-3-5-16(6-4-14)22(20,21)18-11-7-15(8-12-18)17-9-1-2-10-17/h3-6,13,15H,1-2,7-12H2
定義日:2021-02-23
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde
UHQ
UHQ
表記:4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde
組成式:C14 H20 N2 O3 S
SMILES:CN(C)C1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:InChI=1S/C14H20N2O3S/c1-15(2)13-7-9-16(10-8-13)20(18,19)14-5-3-12(11-17)4-6-14/h3-6,11,13H,7-10H2,1-2H3
定義日:2021-02-23
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde
UHS
UHS
表記:N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide
組成式:C21 H30 N4 O3
SMILES:N(C(C)(C)C)C(=O)C(N(c1noc(C(C)(C)C)c1)C(=O)CC)c2cnccc2
InChi:InChI=1S/C21H30N4O3/c1-8-17(26)25(16-12-15(28-24-16)20(2,3)4)18(14-10-9-11-22-13-14)19(27)23-21(5,6)7/h9-13,18H,8H2,1-7H3,(H,23,27)/t18-/m1/s1
定義日:2020-05-18
最終更新日:2024-09-27
公開日:2020-05-27
識別子（ID）:N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide
UHV
UHV
表記:N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
組成式:C25 H30 N4 O4
SMILES:N(c1c(cc(cc1)OC)C)C(=O)C(c2cccnc2)N(c3noc(c3)C(C)(C)C)C(=O)CC
InChi:InChI=1S/C25H30N4O4/c1-7-22(30)29(21-14-20(33-28-21)25(3,4)5)23(17-9-8-12-26-15-17)24(31)27-19-11-10-18(32-6)13-16(19)2/h8-15,23H,7H2,1-6H3,(H,27,31)/t23-/m1/s1
定義日:2020-05-18
最終更新日:2024-09-27
公開日:2020-05-27
識別子（ID）:N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
UHW
UHW
表記:4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde
組成式:C12 H16 N2 O3 S
SMILES:CN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:InChI=1S/C12H16N2O3S/c1-13-6-8-14(9-7-13)18(16,17)12-4-2-11(10-15)3-5-12/h2-5,10H,6-9H2,1H3
定義日:2021-02-23
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde
UHY
UHY
表記:N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-N-[6-(propan-2-yl)pyridin-3-yl]propanamide
組成式:C27 H32 N4 O2
SMILES:N(c1c(cccc1C)CC)C(=O)C(N(c2cnc(C(C)C)cc2)C(CC)=O)c3cnccc3
InChi:InChI=1S/C27H32N4O2/c1-6-20-11-8-10-19(5)25(20)30-27(33)26(21-12-9-15-28-16-21)31(24(32)7-2)22-13-14-23(18(3)4)29-17-22/h8-18,26H,6-7H2,1-5H3,(H,30,33)/t26-/m1/s1
定義日:2020-05-18
最終更新日:2024-09-27
公開日:2020-05-27
識別子（ID）:N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-N-[6-(propan-2-yl)pyridin-3-yl]propanamide
UI5
UI5
表記:(1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol
組成式:C6 H13 N O3
SMILES:N[CH]1C[CH](O)[CH](O)[CH]1CO
InChi:InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/t3-,4-,5+,6+/m1/s1
定義日:2023-09-05
最終更新日:2024-09-27
公開日:2023-12-13
識別子（ID）:(1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol

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