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YDM
YDM
表記:1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one
組成式:C15 H17 N O
SMILES:CCC(=O)c1ccc2cc(ccc2c1)N(C)C
InChi:InChI=1S/C15H17NO/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13/h5-10H,4H2,1-3H3
別名:acrylodan, bound form
定義日:2023-01-26
最終更新日:2024-09-27
公開日:2023-08-30
識別子（ID）:1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one
T5Z
T5Z
表記:2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
組成式:C13 H18 Br N O3 S
SMILES:COc1cc(OC(C)(C)C(=O)NCCS)ccc1Br
InChi:InChI=1S/C13H18BrNO3S/c1-13(2,12(16)15-6-7-19)18-9-4-5-10(14)11(8-9)17-3/h4-5,8,19H,6-7H2,1-3H3,(H,15,16)
定義日:2020-12-15
最終更新日:2024-09-27
公開日:2021-07-07
識別子（ID）:2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
SRZ
SRZ
表記:PROPOXY-L-SERINE
組成式:C6 H13 N O4
SMILES:O=C(O)C(N)COCCCO
InChi:InChI=1S/C6H13NO4/c7-5(6(9)10)4-11-3-1-2-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1
定義日:2013-11-05
最終更新日:2024-09-27
公開日:2013-12-04
識別子（ID）:O-(3-hydroxypropyl)-L-serine
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
ZGQ
ZGQ
表記:N-[(2-methylphenyl)methyl]acetamide
組成式:C10 H13 N O
SMILES:CC(=O)NCc1ccccc1C
InChi:InChI=1S/C10H13NO/c1-8-5-3-4-6-10(8)7-11-9(2)12/h3-6H,7H2,1-2H3,(H,11,12)
定義日:2023-06-23
最終更新日:2024-09-27
公開日:2023-07-12
識別子（ID）:N-[(2-methylphenyl)methyl]acetamide
YDQ
YDQ
表記:2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one
組成式:C14 H14 Br N O
SMILES:BrCC(=O)c1ccc2cc(ccc2c1)N(C)C
InChi:InChI=1S/C14H14BrNO/c1-16(2)13-6-5-10-7-12(14(17)9-15)4-3-11(10)8-13/h3-8H,9H2,1-2H3
別名:BADAN
定義日:2023-01-26
最終更新日:2024-09-27
公開日:2023-08-30
識別子（ID）:2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one
TKS
TKS
表記:2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate
組成式:C27 H40 Cl N3 O5 S
SMILES:C1C(CCCC1)CC(C(NC(C(S)O)CC2C(=O)NCC2)=O)NC(=O)OCC(C)(C)c3cc(Cl)ccc3
InChi:InChI=1S/C27H40ClN3O5S/c1-27(2,19-9-6-10-20(28)15-19)16-36-26(35)31-21(13-17-7-4-3-5-8-17)24(33)30-22(25(34)37)14-18-11-12-29-23(18)32/h6,9-10,15,17-18,21-22,25,34,37H,3-5,7-8,11-14,16H2,1-2H3,(H,29,32)(H,30,33)(H,31,35)/t18-,21-,22-,25+/m0/s1
定義日:2020-03-24
最終更新日:2024-09-27
公開日:2020-09-30
識別子（ID）:2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate
VMM
VMM
表記:ETX0462 (Bound form)
組成式:C10 H16 N6 O7 S
SMILES:c12cnn(C)c1C(C(NC)=NO)N(C(=O)O)CC2NOS(=O)(O)=O
InChi:InChI=1S/C10H16N6O7S/c1-11-9(13-19)8-7-5(3-12-15(7)2)6(4-16(8)10(17)18)14-23-24(20,21)22/h3,6,8,14,19H,4H2,1-2H3,(H,11,13)(H,17,18)(H,20,21,22)/t6-,8-/m0/s1
別名:(4R,7S)-7-(N'-hydroxy-N-methylcarbamimidoyl)-1-methyl-4-[(sulfooxy)amino]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylic acid
定義日:2020-08-27
最終更新日:2024-09-27
公開日:2021-05-26
識別子（ID）:(4R,7S)-7-(N'-hydroxy-N-methylcarbamimidoyl)-1-methyl-4-[(sulfooxy)amino]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylic acid
XFR
XFR
表記:(1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
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:2024-09-27
公開日:2022-11-23
識別子（ID）:(1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
US8
US8
表記:2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide
組成式:C16 H16 N2 O2 S
SMILES:CC(=O)Nc1sc(cc1C(=O)NC2CC2)c3ccccc3
InChi:InChI=1S/C16H16N2O2S/c1-10(19)17-16-13(15(20)18-12-7-8-12)9-14(21-16)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,17,19)(H,18,20)
別名:2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide
定義日:2021-03-10
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide
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
SCS
SCS
表記:3-(ethyldisulfanyl)-L-alanine
組成式:C5 H11 N O2 S2
SMILES:O=C(O)C(N)CSSCC
InChi:InChI=1S/C5H11NO2S2/c1-2-9-10-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-(ethyldisulfanyl)-L-alanine
XX0
XX0
表記:2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide
組成式:C12 H14 Cl2 N2 O4 S
SMILES:C(C(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N2CCOCC2)Cl
InChi:InChI=1S/C12H14Cl2N2O4S/c13-8-12(17)15-9-1-2-10(14)11(7-9)21(18,19)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)
定義日:2019-07-03
最終更新日:2024-09-27
公開日:2019-07-24
識別子（ID）:2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide
TKV
TKV
表記:N~2~-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide
組成式:C24 H36 Cl N3 O5 S
SMILES:CC(COC(=O)NC(C(NC(C(S)O)CC1C(=O)NCC1)=O)CC(C)C)(c2cc(Cl)ccc2)C
InChi:InChI=1S/C24H36ClN3O5S/c1-14(2)10-18(21(30)27-19(22(31)34)11-15-8-9-26-20(15)29)28-23(32)33-13-24(3,4)16-6-5-7-17(25)12-16/h5-7,12,14-15,18-19,22,31,34H,8-11,13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)/t15-,18-,19-,22+/m0/s1
定義日:2020-03-24
最終更新日:2024-09-27
公開日:2020-09-30
識別子（ID）:N~2~-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide
K7I
K7I
表記:L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide
組成式:C16 H25 N3 O3
SMILES:O=C(NC(C(=O)NC(Cc1ccccc1)C(O)C)C)C(N)C
InChi:InChI=1S/C16H25N3O3/c1-10(17)15(21)18-11(2)16(22)19-14(12(3)20)9-13-7-5-4-6-8-13/h4-8,10-12,14,20H,9,17H2,1-3H3,(H,18,21)(H,19,22)/t10-,11-,12+,14-/m0/s1
別名:ALA-ALA-PHE-CHLOROMETHYL KETONE
定義日:2007-11-12
最終更新日:2024-09-27
識別子（ID）:L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide
T65
T65
表記:2-[E-(E-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid
組成式:C18 H31 N O3
SMILES:CCCCCCCCCCC=CCCC(=O)C=NCC(O)=O
InChi:InChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)15-19-16-18(21)22/h11-12,15H,2-10,13-14,16H2,1H3,(H,21,22)/b12-11+,19-15+
定義日:2016-12-01
最終更新日:2024-09-27
公開日:2017-11-22
識別子（ID）:2-[(~{E})-[(~{E})-2-oxidanylidenehexadec-5-enylidene]amino]ethanoic acid
US9
US9
表記:(3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
組成式:C15 H19 F3 N2 O4 S
SMILES:O=S(=O)(CC)N1CCCC(C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChi:InChI=1S/C15H19F3N2O4S/c1-2-25(22,23)20-9-3-4-11(10-20)14(21)19-12-5-7-13(8-6-12)24-15(16,17)18/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)/t11-/m1/s1
定義日:2022-08-24
最終更新日:2024-09-27
公開日:2023-05-10
識別子（ID）:(3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
XX1
XX1
表記:N~6~-7H-PURIN-6-YL-L-LYSINE
組成式:C11 H16 N6 O2
SMILES:O=C(O)C(N)CCCCNc1ncnc2ncnc12
InChi:InChI=1S/C11H16N6O2/c12-7(11(18)19)3-1-2-4-13-9-8-10(15-5-14-8)17-6-16-9/h5-7H,1-4,12H2,(H,18,19)(H2,13,14,15,16,17)/t7-/m0/s1
定義日:2007-04-26
最終更新日:2024-09-27
識別子（ID）:N~6~-7H-purin-6-yl-L-lysine
Z
Z
表記:1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE
組成式:C9 H13 N2 O7 P
SMILES:O=C1N=CC=CN1C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C9H13N2O7P/c12-6-4-8(11-3-1-2-10-9(11)13)18-7(6)5-17-19(14,15)16/h1-3,6-8,12H,4-5H2,(H2,14,15,16)/t6-,7+,8+/m0/s1
別名:2'-DEOXYZEBULARINE-5'-MONOPHOSPHATE
定義日:2002-09-09
最終更新日:2024-09-27
識別子（ID）:1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)pyrimidin-2(1H)-one
T66
T66
表記:2-AMINOETHYLLYSINE-CARBONYLMETHYLENE-THYMINE
組成式:C15 H25 N5 O5
SMILES:O=C(N(C(C(=O)O)CCCCN)CCN)CN1C=C(C(=O)NC1=O)C
InChi:InChI=1S/C15H25N5O5/c1-10-8-19(15(25)18-13(10)22)9-12(21)20(7-6-17)11(14(23)24)4-2-3-5-16/h8,11H,2-7,9,16-17H2,1H3,(H,23,24)(H,18,22,25)/t11-/m1/s1
定義日:2003-02-19
最終更新日:2024-09-27
識別子（ID）:N~2~-(2-aminoethyl)-N~2~-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]-D-lysine
SCU
SCU
表記:N,N,N-TRIMETHYL-2-[(4-OXOBUTANOYL)OXY]ETHANAMINIUM
組成式:C9 H18 N O3
SMILES:O=CCCC(=O)OCC[N+](C)(C)C
InChi:InChI=1S/C9H18NO3/c1-10(2,3)6-8-13-9(12)5-4-7-11/h7H,4-6,8H2,1-3H3/q+1
別名:SUCCINYLMONOCHOLINE
定義日:2006-06-14
最終更新日:2024-09-27
識別子（ID）:N,N,N-trimethyl-2-[(4-oxobutanoyl)oxy]ethanaminium
ZGV
ZGV
表記:4-[(1E)-3-{[(2E,4E,6E,8S)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2H)-carboxylic acid
組成式:C18 H22 N2 O5
SMILES:OC(=O)N1CC=C1/C=C/C(=O)NC(=O)/C=CC(C)=CC=CC(O)CC
InChi:InChI=1S/C18H22N2O5/c1-3-15(21)6-4-5-13(2)7-9-16(22)19-17(23)10-8-14-11-12-20(14)18(24)25/h4-11,15,21H,3,12H2,1-2H3,(H,24,25)(H,19,22,23)/b6-4+,9-7+,10-8+,13-5+/t15-/m0/s1
定義日:2021-04-22
最終更新日:2024-09-27
公開日:2022-02-02
識別子（ID）:4-[(1E)-3-{[(2E,4E,6E,8S)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2H)-carboxylic acid
USA
USA
表記:(E)-1-(1H-imidazol-2-yl)methanimine
組成式:C4 H5 N3
SMILES:n1ccnc1/C=N
InChi:InChI=1S/C4H5N3/c5-3-4-6-1-2-7-4/h1-3,5H,(H,6,7)/b5-3+
定義日:2020-05-28
最終更新日:2024-09-27
公開日:2020-06-10
識別子（ID）:(E)-1-(1H-imidazol-2-yl)methanimine
TKX
TKX
表記:5-bromo-3-[(4-chloro-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
組成式:C13 H8 Br Cl N2 O4
SMILES:O=Cc1ncc(Br)cc1OCc1ccc(Cl)c(c1)[N+]([O-])=O
InChi:InChI=1S/C13H8BrClN2O4/c14-9-4-13(11(6-18)16-5-9)21-7-8-1-2-10(15)12(3-8)17(19)20/h1-6H,7H2
定義日:2022-07-27
最終更新日:2024-09-27
公開日:2023-06-28
識別子（ID）:5-bromo-3-[(4-chloro-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
K7J
K7J
表記:N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide
組成式:C25 H35 Cl N4 O7
SMILES:O=C(NC(Cc1ccccc1)C(O)CCl)C2N(C(=O)C(NC(=O)C(NC(=O)CCC(=O)O)C)C)CCC2
InChi:InChI=1S/C25H35ClN4O7/c1-15(27-21(32)10-11-22(33)34)23(35)28-16(2)25(37)30-12-6-9-19(30)24(36)29-18(20(31)14-26)13-17-7-4-3-5-8-17/h3-5,7-8,15-16,18-20,31H,6,9-14H2,1-2H3,(H,27,32)(H,28,35)(H,29,36)(H,33,34)/t15-,16-,18-,19-,20+/m0/s1
別名:SUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE
定義日:2007-11-12
最終更新日:2024-09-27
識別子（ID）:N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide

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