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UCI
UCI
表記:(3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form)
組成式:C21 H23 F3 N2 O4 S
SMILES:O=S(=O)(CC)N1CC(CC(C1)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1
InChi:InChI=1S/C21H23F3N2O4S/c1-2-31(28,29)26-13-16(15-6-4-3-5-7-15)12-17(14-26)20(27)25-18-8-10-19(11-9-18)30-21(22,23)24/h3-11,16-17H,2,12-14H2,1H3,(H,25,27)/t16-,17-/m1/s1
定義日:2022-08-16
最終更新日:2024-09-27
公開日:2023-05-10
識別子（ID）:(3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
UCJ
UCJ
表記:propan-2-yl hydrogen (S)-methylphosphonate
組成式:C4 H11 O3 P
SMILES:O=P(OC(C)C)(O)C
InChi:InChI=1S/C4H11O3P/c1-4(2)7-8(3,5)6/h4H,1-3H3,(H,5,6)
定義日:2020-05-07
最終更新日:2024-09-27
公開日:2021-02-17
識別子（ID）:propan-2-yl hydrogen (S)-methylphosphonate
UCV
UCV
表記:1-[(2~{S})-2-azanyl-3-methyl-butyl]urea
組成式:C6 H15 N3 O
SMILES:CC(C)[CH](N)CNC(N)=O
InChi:InChI=1S/C6H15N3O/c1-4(2)5(7)3-9-6(8)10/h4-5H,3,7H2,1-2H3,(H3,8,9,10)/t5-/m1/s1
定義日:2018-08-22
最終更新日:2024-09-27
公開日:2020-07-08
識別子（ID）:1-[(2~{S})-2-azanyl-3-methyl-butyl]urea
UCY
UCY
表記:(1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate
組成式:C8 H17 O2 P
SMILES:CP(=O)OC1C(C)(CCC1)C
InChi:InChI=1S/C8H17O2P/c1-8(2)6-4-5-7(8)10-11(3)9/h7,11H,4-6H2,1-3H3/t7-/m0/s1
別名:2,2-dimethylcyclopentyl methylphosphinate
定義日:2020-05-07
最終更新日:2024-09-27
公開日:2021-02-17
識別子（ID）:(1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate
UDI
UDI
表記:butane-1,4-dithiol
組成式:C4 H10 S2
SMILES:SCCCCS
InChi:InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2
別名:1,2-dithiane 1-oxide (reacted)
定義日:2023-02-01
最終更新日:2024-09-27
公開日:2023-12-13
識別子（ID）:butane-1,4-dithiol
UDP
UDP
表記:URIDINE-5'-DIPHOSPHATE
組成式:C9 H14 N2 O12 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
InChi:InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:uridine 5'-(trihydrogen diphosphate)
9MN
9MN
表記:(2~{S})-2-azanyl-6-(6-bromanylhexanoylamino)hexanoic acid
組成式:C12 H23 Br N2 O3
SMILES:N[CH](CCCCNC(=O)CCCCCBr)C(O)=O
InChi:InChI=1S/C12H23BrN2O3/c13-8-4-1-2-7-11(16)15-9-5-3-6-10(14)12(17)18/h10H,1-9,14H2,(H,15,16)(H,17,18)/t10-/m0/s1
定義日:2017-06-08
最終更新日:2024-09-27
公開日:2017-10-11
識別子（ID）:(2~{S})-2-azanyl-6-(6-bromanylhexanoylamino)hexanoic acid
UE1
UE1
表記:(4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro- 1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate
組成式:C23 H27 N10 O13 S2
SMILES:O=C1N(C(=NN1S(=O)(=O)NC(=O)NCC(C=O)NC(=O)C(=NOC(C([O-])=O)(C)C)/c2nc(sc2)N)c3ncc(O)c(O)c3)CC(O)CO
InChi:InChI=1S/C23H28N10O13S2/c1-23(2,19(40)41)46-30-16(13-9-47-20(24)28-13)18(39)27-10(7-34)4-26-21(42)31-48(44,45)33-22(43)32(6-11(36)8-35)17(29-33)12-3-14(37)15(38)5-25-12/h3,5,7,9-11,35-36,38H,4,6,8H2,1-2H3,(H2,24,28)(H,25,37)(H,27,39)(H,40,41)(H2,26,31,42)/p-1/b30-16-/t10-,11+/m0/s1
別名:MC-1 (open form)
定義日:2011-11-14
最終更新日:2024-09-27
識別子（ID）:(4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate
UED
UED
表記:N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
組成式:C21 H31 N3 O5
SMILES:C(OC(=O)NC(C(NC(CO)CC1C(NCC1)=O)=O)CC(C)C)c2ccccc2
InChi:InChI=1S/C21H31N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,14,16-18,25H,8-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1
別名:GC373 bound form, GC376 bound form
定義日:2020-05-11
最終更新日:2024-09-27
公開日:2020-05-20
識別子（ID）:N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
UEG
UEG
表記:4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol
組成式:C8 H11 N O3
SMILES:Oc1c(c(cnc1C)CO)CO
InChi:InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
定義日:2013-09-12
最終更新日:2024-09-27
公開日:2014-03-19
識別子（ID）:4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
UEP
UEP
表記:6-ethyluridine 5'-phosphate
組成式:C11 H17 N2 O9 P
SMILES:O=C1NC(=O)N(C(=C1)CC)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C11H17N2O9P/c1-2-5-3-7(14)12-11(17)13(5)10-9(16)8(15)6(22-10)4-21-23(18,19)20/h3,6,8-10,15-16H,2,4H2,1H3,(H,12,14,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1
別名:6-ethyl-UMP
定義日:2008-10-23
最終更新日:2024-09-27
識別子（ID）:6-ethyluridine 5'-(dihydrogen phosphate)
UF0
UF0
表記:O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(hydroxyacetyl)amino]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine
組成式:C16 H31 N4 O11 P
SMILES:CC(C)(CO[P](O)(=O)OC[CH](N)C(O)=O)[CH](O)C(=O)NCCC(=O)NCCNC(=O)CO
InChi:InChI=1S/C16H31N4O11P/c1-16(2,9-31-32(28,29)30-8-10(17)15(26)27)13(24)14(25)20-4-3-11(22)18-5-6-19-12(23)7-21/h10,13,21,24H,3-9,17H2,1-2H3,(H,18,22)(H,19,23)(H,20,25)(H,26,27)(H,28,29)/t10-,13-/m0/s1
定義日:2009-11-20
最終更新日:2024-09-27
識別子（ID）:(2S)-2-azanyl-3-[hydroxy-[(3R)-3-hydroxy-4-[[3-[2-(2-hydroxyethanoylamino)ethylamino]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butoxy]phosphoryl]oxy-propanoic acid
UFH
UFH
表記:2-bromanyl-4-imidazol-1-yl-benzaldehyde
組成式:C10 H7 Br N2 O
SMILES:Brc1cc(ccc1C=O)n2ccnc2
InChi:InChI=1S/C10H7BrN2O/c11-10-5-9(2-1-8(10)6-14)13-4-3-12-7-13/h1-7H
定義日:2021-02-12
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:2-bromanyl-4-imidazol-1-yl-benzaldehyde
9OW
9OW
表記:3-selanyl-L-alaninamide
組成式:C3 H8 N2 O Se
SMILES:NC(=O)C(N)C[SeH]
InChi:InChI=1S/C3H8N2OSe/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1
定義日:2021-10-21
最終更新日:2024-09-27
公開日:2022-03-16
識別子（ID）:3-selanyl-L-alaninamide
N5U
N5U
表記:1-[(2~{R})-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one
組成式:C12 H19 N3 O
SMILES:CCC(=O)N1CCCC[CH]1c2cncn2C
InChi:InChI=1S/C12H19N3O/c1-3-12(16)15-7-5-4-6-10(15)11-8-13-9-14(11)2/h8-10H,3-7H2,1-2H3/t10-/m1/s1
定義日:2022-08-12
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:1-[(2~{R})-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one
N63
N63
表記:(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
組成式:C22 H30 F3 N3 O8 S
SMILES:FC(F)(F)c1cccc(c1)COC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C22H30F3N3O8S/c1-12(2)8-16(28-21(32)36-11-13-4-3-5-15(9-13)22(23,24)25)19(30)27-17(20(31)37(33,34)35)10-14-6-7-26-18(14)29/h3-5,9,12,14,16-17,20,31H,6-8,10-11H2,1-2H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t14-,16-,17-,20?/m0/s1
定義日:2022-01-19
最終更新日:2024-09-27
公開日:2022-05-04
識別子（ID）:(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
N65
N65
表記:(2~{S})-2-azanyl-6-[(~{E})-pentan-2-ylideneamino]hexanal
組成式:C11 H22 N2 O2
SMILES:CCCC(C)=NCCCC[CH](N)C(O)=O
InChi:InChI=1S/C11H22N2O2/c1-3-6-9(2)13-8-5-4-7-10(12)11(14)15/h10H,3-8,12H2,1-2H3,(H,14,15)/b13-9+/t10-/m0/s1
定義日:2019-11-13
最終更新日:2024-09-27
公開日:2020-06-03
識別子（ID）:(2~{S})-2-azanyl-6-[(~{E})-pentan-2-ylideneamino]hexanoic acid
9PR
9PR
表記:N-methyl-L-prolinamide
組成式:C6 H12 N2 O
SMILES:O=C(NC)C1NCCC1
InChi:InChI=1S/C6H12N2O/c1-7-6(9)5-3-2-4-8-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1
定義日:2010-12-09
最終更新日:2024-09-27
識別子（ID）:N-methyl-L-prolinamide
N6K
N6K
表記:~{N}-(1~{H}-indazol-5-ylmethyl)ethanesulfonamide
組成式:C10 H13 N3 O2 S
SMILES:CC[S](=O)(=O)NCc1ccc2[nH]ncc2c1
InChi:InChI=1S/C10H13N3O2S/c1-2-16(14,15)12-6-8-3-4-10-9(5-8)7-11-13-10/h3-5,7,12H,2,6H2,1H3,(H,11,13)
別名:N-(1H-indazol-5-ylmethyl)ethenesulfonamide (precursor)
定義日:2022-08-12
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:~{N}-(1~{H}-indazol-5-ylmethyl)ethanesulfonamide
N6N
N6N
表記:3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazole-5-thione
組成式:C8 H6 Br N3 S
SMILES:Brc1cccc(c1)C2=NNC(=S)N2
InChi:InChI=1S/C8H6BrN3S/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
定義日:2023-01-11
最終更新日:2024-09-27
公開日:2023-12-13
識別子（ID）:3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazole-5-thione
N6U
N6U
表記:~{N}-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)ethanesulfonamide
組成式:C9 H11 N3 O2 S
SMILES:CC[S](=O)(=O)Nc1ccnc2[nH]ccc12
InChi:InChI=1S/C9H11N3O2S/c1-2-15(13,14)12-8-4-6-11-9-7(8)3-5-10-9/h3-6H,2H2,1H3,(H2,10,11,12)
定義日:2022-08-12
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:~{N}-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)ethanesulfonamide
9QJ
9QJ
表記:(1S,3S,4E)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid
組成式:C14 H19 N2 O7 P
SMILES:C(c1c(O)c(C)ncc1COP(O)(O)=O)C2C(=N)CC(C2)C(O)=O
InChi:InChI=1S/C14H19N2O7P/c1-7-13(17)11(10(5-16-7)6-23-24(20,21)22)3-8-2-9(14(18)19)4-12(8)15/h5,8-9,15,17H,2-4,6H2,1H3,(H,18,19)(H2,20,21,22)/b15-12+/t8-,9-/m0/s1
定義日:2017-05-26
最終更新日:2024-09-27
公開日:2017-08-30
識別子（ID）:(1S,3S,4E)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid
N6Z
N6Z
表記:~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide
組成式:C27 H29 F2 N5 O3
SMILES:CCC(=O)N(C)CCOc1c(N)ncnc1c2cc(F)cc(NC(=O)c3ccc(cc3F)C4CC4)c2C
InChi:InChI=1S/C27H29F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h7-8,11-14,16H,4-6,9-10H2,1-3H3,(H,33,36)(H2,30,31,32)
定義日:2019-11-14
最終更新日:2024-09-27
公開日:2020-03-04
識別子（ID）:~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide
N77
N77
表記:7-(hydroxyamino)-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide 3-oxide
組成式:C15 H11 F3 N4 O3 S
SMILES:FC(F)(F)c3cc1c(sc([n+]1[O-])C(=O)NCc2cccnc2)c(c3)NO
InChi:InChI=1S/C15H11F3N4O3S/c16-15(17,18)9-4-10(21-24)12-11(5-9)22(25)14(26-12)13(23)20-7-8-2-1-3-19-6-8/h1-6,21,24H,7H2,(H,20,23)
定義日:2014-06-03
最終更新日:2024-09-27
公開日:2015-10-21
識別子（ID）:7-(hydroxyamino)-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide 3-oxide
N78
N78
表記:~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide
組成式:C32 H28 N6 O5
SMILES:CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3ncnc(Nc4ccc(CN5C(=O)c6ccccc6C5=O)cc4)c23
InChi:InChI=1S/C32H28N6O5/c1-2-27(40)37-25-15-20(9-12-26(25)43-14-13-39)24-16-33-29-28(24)30(35-18-34-29)36-21-10-7-19(8-11-21)17-38-31(41)22-5-3-4-6-23(22)32(38)42/h3-12,15-16,18,39H,2,13-14,17H2,1H3,(H,37,40)(H2,33,34,35,36)
定義日:2019-11-14
最終更新日:2024-09-27
公開日:2020-09-30
識別子（ID）:~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide

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