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ET6
ET6
表記:(1S,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C21 H36 N4 O10 S2
SMILES:O=S(C)(=O)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1
InChi:InChI=1S/C21H36N4O10S2/c1-12(2)6-15(24-20(29)35-14-8-21(9-14)10-25(11-21)36(3,30)31)18(27)23-16(19(28)37(32,33)34)7-13-4-5-22-17(13)26/h12-16,19,28H,4-11H2,1-3H3,(H,22,26)(H,23,27)(H,24,29)(H,32,33,34)/t13-,15-,16-,19-/m0/s1
定義日:2021-12-10
最終更新日:2024-09-27
公開日:2021-12-22
識別子（ID）:(1S,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
ETA
ETA
表記:ETHANOLAMINE
組成式:C2 H7 N O
SMILES:OCCN
InChi:InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2-aminoethanol
ETM
ETM
表記:2-(TRIMETHYLAMMONIUM)ETHYL THIOL
組成式:C5 H14 N S
SMILES:SCC[N+](C)(C)C
InChi:InChI=1S/C5H13NS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1
定義日:2003-09-26
最終更新日:2024-09-27
識別子（ID）:N,N,N-trimethyl-2-sulfanylethanaminium
ETP
ETP
表記:3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID
組成式:C16 H14 B N O6 S3
SMILES:O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cccc(B(O)O)c2)c3ccccc3
InChi:InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H
定義日:2000-12-07
最終更新日:2024-09-27
識別子（ID）:[3-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)phenyl]boronic acid
EU0
EU0
表記:1-[(2~{S})-3-methyl-1-oxidanylidene-butan-2-yl]guanidine
組成式:C6 H14 N3 O2
SMILES:CC(C)[CH](NC(N)=[NH2+])C(O)=O
InChi:InChI=1S/C6H13N3O2/c1-3(2)4(5(10)11)9-6(7)8/h3-4H,1-2H3,(H,10,11)(H4,7,8,9)/p+1/t4-/m0/s1
定義日:2022-01-13
最終更新日:2024-09-27
公開日:2023-05-10
識別子（ID）:[azanyl-[[(2~{S})-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]methylidene]azanium
EUF
EUF
表記:2-(ethyldisulfanyl)-1,3-benzothiazole
組成式:C9 H9 N S3
SMILES:CCSSc1sc2ccccc2n1
InChi:InChI=1S/C9H9NS3/c1-2-11-13-9-10-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3
定義日:2020-01-27
最終更新日:2024-09-27
公開日:2020-05-27
識別子（ID）:2-(ethyldisulfanyl)-1,3-benzothiazole
EUP
EUP
表記:4-amino-L-allothreonine
組成式:C4 H10 N2 O3
SMILES:NC(C(=O)O)C(O)CN
InChi:InChI=1S/C4H10N2O3/c5-1-2(7)3(6)4(8)9/h2-3,7H,1,5-6H2,(H,8,9)/t2-,3-/m0/s1
定義日:2018-02-01
最終更新日:2024-09-27
公開日:2018-04-18
識別子（ID）:4-amino-L-allothreonine
EUW
EUW
表記:2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide
組成式:C28 H29 Cl N8 O4
SMILES:CCC(=O)NCCNC1=C(NCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)C(=O)C1=O
InChi:InChI=1S/C28H29ClN8O4/c1-3-21(38)31-12-13-32-22-23(25(40)24(22)39)33-14-16-8-10-17(11-9-16)35-28-34-15-19(29)26(37-28)36-20-7-5-4-6-18(20)27(41)30-2/h4-11,15,32-33H,3,12-14H2,1-2H3,(H,30,41)(H,31,38)(H2,34,35,36,37)
定義日:2018-04-19
最終更新日:2024-09-27
公開日:2019-05-01
識別子（ID）:2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide
EW9
EW9
表記:(1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C27 H46 N4 O10 S
SMILES:O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)OC(C)(C)C)C1)C(O)S(=O)(=O)O
InChi:InChI=1S/C27H46N4O10S/c1-16(2)12-19(22(33)29-20(23(34)42(37,38)39)13-17-6-9-28-21(17)32)30-24(35)40-18-14-27(15-18)7-10-31(11-8-27)25(36)41-26(3,4)5/h16-20,23,34H,6-15H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)(H,37,38,39)/t17-,19-,20-,23-/m0/s1
定義日:2021-12-14
最終更新日:2024-09-27
公開日:2021-12-22
識別子（ID）:(1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
EWA
EWA
表記:[(1S)-1-{[(2,6-DIMETHOXYPHENYL)CARBONYL]AMINO}ETHYL]BORONIC ACID
組成式:C11 H16 B N O5
SMILES:O=C(c1c(OC)cccc1OC)NC(B(O)O)C
InChi:InChI=1S/C11H16BNO5/c1-7(12(15)16)13-11(14)10-8(17-2)5-4-6-9(10)18-3/h4-7,15-16H,1-3H3,(H,13,14)/t7-/m1/s1
定義日:2010-07-21
最終更新日:2024-09-27
識別子（ID）:[(1S)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}ethyl]boronic acid
EWB
EWB
表記:[(1S)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)
組成式:C16 H19 B N O4
SMILES:O=C(c1ccccc1Cc2ccccc2)NC([B-](O)(O)O)C
InChi:InChI=1S/C16H19BNO4/c1-12(17(20,21)22)18-16(19)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12,20-22H,11H2,1H3,(H,18,19)/q-1/t12-/m1/s1
定義日:2010-07-07
最終更新日:2024-09-27
識別子（ID）:[(1S)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)
EX8
EX8
表記:(2~{R},3~{R},4~{S})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carbaldehyde
組成式:C5 H8 F N O3
SMILES:O[CH]1CN[CH]([CH]1F)C(O)=O
InChi:InChI=1S/C5H8FNO3/c6-3-2(8)1-7-4(3)5(9)10/h2-4,7-8H,1H2,(H,9,10)/t2-,3-,4-/m0/s1
定義日:2018-05-03
最終更新日:2024-09-27
公開日:2018-07-11
識別子（ID）:(2~{R},3~{R},4~{S})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carboxylic acid
EXA
EXA
表記:N~6~-[(R)-[(E)-(1-carboxyethylidene)amino]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl]-L-lysine
組成式:C17 H27 N4 O9 P
SMILES:Oc1c(C(N=C(/C)C(=O)O)NCCCCC(N)C(=O)O)c(cnc1C)COP(=O)(O)O
InChi:InChI=1S/C17H27N4O9P/c1-9-14(22)13(11(7-20-9)8-30-31(27,28)29)15(21-10(2)16(23)24)19-6-4-3-5-12(18)17(25)26/h7,12,15,19,22H,3-6,8,18H2,1-2H3,(H,23,24)(H,25,26)(H2,27,28,29)/b21-10+/t12-,15+/m0/s1
定義日:2017-03-01
最終更新日:2024-09-27
公開日:2018-03-07
識別子（ID）:N~6~-[(R)-[(E)-(1-carboxyethylidene)amino]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl]-L-lysine
EXB
EXB
表記:3-(1H-benzimidazol-1-yl)propanoic acid
組成式:C10 H10 N2 O2
SMILES:O=C(O)CCn1c2ccccc2nc1
InChi:InChI=1S/C10H10N2O2/c13-10(14)5-6-12-7-11-8-3-1-2-4-9(8)12/h1-4,7H,5-6H2,(H,13,14)
定義日:2008-11-12
最終更新日:2024-09-27
識別子（ID）:3-(1H-benzimidazol-1-yl)propanoic acid
EXL
EXL
表記:1-Methyl-L-tryptophan
組成式:C12 H14 N2 O2
SMILES:Cn1cc(C[CH](N)C(O)=O)c2ccccc12
InChi:InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
別名:(2S)-2-azanyl-3-(1-methylindol-3-yl)propanoic acid
定義日:2020-02-14
最終更新日:2024-09-27
公開日:2020-07-08
識別子（ID）:(2~{S})-2-azanyl-3-(1-methylindol-3-yl)propanoic acid
EYC
EYC
表記:2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid}
組成式:C18 H14 Cl2 N2 O8 S2
SMILES:O=C(CCl)Nc2ccc(C#Cc1c(cc(cc1)NC(=O)CCl)S(=O)(=O)O)c(c2)S(O)(=O)=O
InChi:InChI=1S/C18H14Cl2N2O8S2/c19-9-17(23)21-13-5-3-11(15(7-13)31(25,26)27)1-2-12-4-6-14(22-18(24)10-20)8-16(12)32(28,29)30/h3-8H,9-10H2,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30)
定義日:2015-07-07
最終更新日:2024-09-27
公開日:2016-03-30
識別子（ID）:2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid}
EYG
EYG
表記:{(2R,4Z)-2-[(1R)-1-amino-3-(methylsulfanyl)propyl]-2-hydroxy-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazolidin-1-yl}acetic acid
組成式:C16 H21 N3 O5 S
SMILES:O=C(O)CN1C(=O)/C(NC1(O)C(N)CCSC)=C/c2ccc(O)cc2
InChi:InChI=1S/C16H21N3O5S/c1-25-7-6-13(17)16(24)18-12(15(23)19(16)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,8,13,18,20,24H,6-7,9,17H2,1H3,(H,21,22)/b12-8-/t13-,16-/m1/s1
別名:CHROMOPHORE (MET-TYR-GLY)
定義日:2010-08-24
最終更新日:2024-09-27
識別子（ID）:[(2R,4Z)-2-[(1R)-1-amino-3-(methylsulfanyl)propyl]-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid
EYZ
EYZ
表記:(2~{S})-2-azanyl-6-[[(3~{R})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid
組成式:C16 H22 N2 O5 S
SMILES:N[CH](CCCCNC(=O)C[CH](Sc1ccccc1)C(O)=O)C(O)=O
InChi:InChI=1S/C16H22N2O5S/c17-12(15(20)21)8-4-5-9-18-14(19)10-13(16(22)23)24-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,17H2,(H,18,19)(H,20,21)(H,22,23)/t12-,13+/m0/s1
定義日:2018-05-08
最終更新日:2024-09-27
公開日:2018-05-16
識別子（ID）:(2~{S})-2-azanyl-6-[[(3~{R})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid
JUG
JUG
表記:5-hydroxynaphthalene-1,4-dione
組成式:C10 H6 O3
SMILES:O=C2c1c(c(O)ccc1)C(=O)C=C2
InChi:InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
別名:Juglone
定義日:2007-11-01
最終更新日:2024-09-27
識別子（ID）:5-hydroxynaphthalene-1,4-dione
JUU
JUU
表記:[(2~{R},3~{S})-3-azanyl-2-oxidanyl-4-phenyl-butyl]-(phenylmethyl)carbamic acid
組成式:C18 H22 N2 O3
SMILES:N[CH](Cc1ccccc1)[CH](O)CN(Cc2ccccc2)C(O)=O
InChi:InChI=1S/C18H22N2O3/c19-16(11-14-7-3-1-4-8-14)17(21)13-20(18(22)23)12-15-9-5-2-6-10-15/h1-10,16-17,21H,11-13,19H2,(H,22,23)/t16-,17+/m0/s1
定義日:2023-08-09
最終更新日:2024-09-27
公開日:2024-01-31
識別子（ID）:[(2~{R},3~{S})-3-azanyl-2-oxidanyl-4-phenyl-butyl]-(phenylmethyl)carbamic acid
JVP
JVP
表記:5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide
組成式:C22 H20 F2 N6 O2
SMILES:c3cc(c1nn(c(c1C(=O)N)N)C2CCCN(C#N)C2)ccc3Oc4ccc(cc4F)F
InChi:InChI=1S/C22H20F2N6O2/c23-14-5-8-18(17(24)10-14)32-16-6-3-13(4-7-16)20-19(22(27)31)21(26)30(28-20)15-2-1-9-29(11-15)12-25/h3-8,10,15H,1-2,9,11,26H2,(H2,27,31)/t15-/m1/s1
定義日:2018-10-04
最終更新日:2024-09-27
公開日:2019-01-30
識別子（ID）:5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide
JVX
JVX
表記:N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-2-chloroacetamide
組成式:C23 H30 Cl N3 O2
SMILES:CC(C)(C)c1ccc(cc1)N(C(=O)CCl)C(c1cccnc1)C(=O)NC(C)(C)C
InChi:InChI=1S/C23H30ClN3O2/c1-22(2,3)17-9-11-18(12-10-17)27(19(28)14-24)20(16-8-7-13-25-15-16)21(29)26-23(4,5)6/h7-13,15,20H,14H2,1-6H3,(H,26,29)/t20-/m1/s1
定義日:2023-08-09
最終更新日:2024-09-27
公開日:2024-01-24
識別子（ID）:N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-2-chloroacetamide
JW1
JW1
表記:{3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid
組成式:C11 H16 B N O4
SMILES:c1ccc(B(O)O)cc1NC(=O)OC(C)(C)C
InChi:InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-5-8(7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
定義日:2016-09-28
最終更新日:2024-09-27
公開日:2017-01-11
識別子（ID）:{3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid
JW3
JW3
表記:(3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid
組成式:C12 H12 B N O4
SMILES:O=C(c1cc(B(O)O)ccc1)NCc2occc2
InChi:InChI=1S/C12H12BNO4/c15-12(14-8-11-5-2-6-18-11)9-3-1-4-10(7-9)13(16)17/h1-7,16-17H,8H2,(H,14,15)
定義日:2016-09-28
最終更新日:2024-09-27
公開日:2017-01-11
識別子（ID）:(3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid
JW8
JW8
表記:{4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid
組成式:C9 H12 B N O4 S
SMILES:c1(ccc(B(O)O)cc1)S(=O)(N2CCC2)=O
InChi:InChI=1S/C9H12BNO4S/c12-10(13)8-2-4-9(5-3-8)16(14,15)11-6-1-7-11/h2-5,12-13H,1,6-7H2
定義日:2016-09-28
最終更新日:2024-09-27
公開日:2017-01-11
識別子（ID）:{4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid

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