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T5Q
T5Q
表記:2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide
組成式:C12 H15 F2 N O2 S
SMILES:CC(C)(Oc1cc(F)cc(F)c1)C(=O)NCCS
InChi:InChI=1S/C12H15F2NO2S/c1-12(2,11(16)15-3-4-18)17-10-6-8(13)5-9(14)7-10/h5-7,18H,3-4H2,1-2H3,(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-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide
TKH
TKH
表記:[4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-phenyl]methanol
組成式:C16 H9 Br F2 N2 O
SMILES:Fc1ccc(c(F)c1)c2nccn2c3ccc(C=O)c(Br)c3
InChi:InChI=1S/C16H9BrF2N2O/c17-14-8-12(3-1-10(14)9-22)21-6-5-20-16(21)13-4-2-11(18)7-15(13)19/h1-9H
定義日:2021-01-05
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-benzaldehyde
IYR
IYR
表記:3-IODO-TYROSINE
組成式:C9 H10 I N O3
SMILES:Ic1cc(ccc1O)CC(C(=O)O)N
InChi:InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-iodo-L-tyrosine
YDB
YDB
表記:1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid
組成式:C9 H12 B N7 O5 S2
SMILES:O=C(CSc1nnc(N)s1)NC(Cn1cc(nn1)C(=O)O)B(O)O
InChi:InChI=1S/C9H12BN7O5S2/c11-8-14-15-9(24-8)23-3-6(18)12-5(10(21)22)2-17-1-4(7(19)20)13-16-17/h1,5,21-22H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/t5-/m0/s1
定義日:2023-01-25
最終更新日:2024-09-27
公開日:2023-07-05
識別子（ID）:1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid
TKI
TKI
表記:2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid
組成式:C10 H16 N4 O2
SMILES:CCc1nc(CC)nc(n1)N(C)CC(O)=O
InChi:InChI=1S/C10H16N4O2/c1-4-7-11-8(5-2)13-10(12-7)14(3)6-9(15)16/h4-6H2,1-3H3,(H,15,16)
別名:2-(N-methyl-N-(4,6-divinyl-1,3,5-triazin-2-yl)amino)acetic acid (precursor)
定義日:2023-01-06
最終更新日:2024-09-27
公開日:2023-11-29
識別子（ID）:2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid
ZGE
ZGE
表記:5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid
組成式:C12 H19 F N4 O7
SMILES:O=C(C)NC1C(N/C(N)=N)C(F)=C(OC1C(O)C(CO)O)C(O)=O
InChi:InChI=1S/C12H19FN4O7/c1-3(19)16-7-6(17-12(14)15)5(13)9(11(22)23)24-10(7)8(21)4(20)2-18/h4,6-8,10,18,20-21H,2H2,1H3,(H,16,19)(H,22,23)(H4,14,15,17)/t4-,6+,7-,8-,10-/m1/s1
別名:(2R,3R,4R)-3-acetamido-4-carbamimidamido-5-fluoranyl-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carb oxylic acid
定義日:2012-10-31
最終更新日:2024-09-27
公開日:2013-05-01
識別子（ID）:5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid
SCH
SCH
表記:S-METHYL-THIO-CYSTEINE
組成式:C4 H9 N O2 S2
SMILES:O=C(O)C(N)CSSC
InChi:InChI=1S/C4H9NO2S2/c1-8-9-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-(methyldisulfanyl)-L-alanine
W0W
W0W
表記:(1R,2S,5S)-3-[bis(4-chlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C29 H31 Cl2 N3 O6
SMILES:CC1(C)C2C(C(=O)NC(CC3CC=NC3=O)CO)N(CC21)C(=O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChi:InChI=1S/C29H31Cl2N3O6/c1-29(2)22-14-34(24(23(22)29)26(37)33-19(15-35)13-16-11-12-32-25(16)36)27(38)28(39-20-7-3-17(30)4-8-20)40-21-9-5-18(31)6-10-21/h3-10,12,16,19,22-24,28,35H,11,13-15H2,1-2H3,(H,33,37)/t16-,19-,22-,23-,24-/m0/s1
定義日:2023-09-21
最終更新日:2024-09-27
公開日:2024-09-25
識別子（ID）:(1R,2S,5S)-3-[bis(4-chlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
URV
URV
表記:[(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid
組成式:C6 H14 N2 O2
SMILES:CC(C)[CH](N)CNC(O)=O
InChi:InChI=1S/C6H14N2O2/c1-4(2)5(7)3-8-6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t5-/m1/s1
定義日:2019-10-12
最終更新日:2024-09-27
公開日:2021-02-17
識別子（ID）:[(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid
ZXQ
ZXQ
表記:{(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid
組成式:C13 H16 B N O5 S
SMILES:O=C(NC1CC=CC(CC(=O)O)OB1O)Cc1cccs1
InChi:InChI=1S/C13H16BNO5S/c16-12(8-10-4-2-6-21-10)15-11-5-1-3-9(7-13(17)18)20-14(11)19/h1-4,6,9,11,19H,5,7-8H2,(H,15,16)(H,17,18)/t9-,11+/m1/s1
定義日:2022-01-13
最終更新日:2024-09-27
公開日:2022-05-18
識別子（ID）:{(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid
XFF
XFF
表記:(2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
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）:(1S,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
TKK
TKK
表記:1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole
組成式:C16 H10 Br2 N2 O
SMILES:Brc1ccccc1c2nccn2c3ccc(C=O)c(Br)c3
InChi:InChI=1S/C16H10Br2N2O/c17-14-4-2-1-3-13(14)16-19-7-8-20(16)12-6-5-11(10-21)15(18)9-12/h1-10H
定義日:2021-01-06
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:2-bromanyl-4-[2-(2-bromophenyl)imidazol-1-yl]benzaldehyde
K76
K76
表記:(2E)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one
組成式:C16 H10 F8 N4 O
SMILES:O=C(C=C/n1nc(nc1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)N3CC(F)(F)C3
InChi:InChI=1S/C16H10F8N4O/c17-14(18)6-27(7-14)12(29)1-2-28-8-25-13(26-28)9-3-10(15(19,20)21)5-11(4-9)16(22,23)24/h1-5,8H,6-7H2/b2-1+
定義日:2014-11-07
最終更新日:2024-09-27
公開日:2015-07-15
識別子（ID）:(2E)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one
TKL
TKL
表記:(2S)-2-{4-[(1S)-1,5-diaminopentyl]-1H-1,2,3-triazol-1-yl}-4-methylpentanoic acid
組成式:C13 H25 N5 O2
SMILES:O=C(C(n1cc(nn1)C(CCCCN)N)CC(C)C)O
InChi:InChI=1S/C13H25N5O2/c1-9(2)7-12(13(19)20)18-8-11(16-17-18)10(15)5-3-4-6-14/h8-10,12H,3-7,14-15H2,1-2H3,(H,19,20)/t10-,12-/m0/s1
定義日:2005-07-29
最終更新日:2024-09-27
識別子（ID）:(2S)-2-{4-[(1S)-1,5-diaminopentyl]-1H-1,2,3-triazol-1-yl}-4-methylpentanoic acid
SRU
SRU
表記:1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
組成式:C19 H20 N2 O3
SMILES:O=C(C)N1N=C(CC1c1ccc(OC)c(OC)c1)c1ccccc1
InChi:InChI=1S/C19H20N2O3/c1-13(22)21-17(12-16(20-21)14-7-5-4-6-8-14)15-9-10-18(23-2)19(11-15)24-3/h4-11,17H,12H2,1-3H3/t17-/m0/s1
定義日:2022-07-08
最終更新日:2024-09-27
公開日:2023-05-17
識別子（ID）:1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
VME
VME
表記:METHYL L-VALINATE
組成式:C6 H13 N O2
SMILES:O=C(OC)C(N)C(C)C
InChi:InChI=1S/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3/t5-/m0/s1
別名:O-METHYLVALINE
定義日:2006-11-11
最終更新日:2024-09-27
識別子（ID）:methyl L-valinate
T5W
T5W
表記:2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide
組成式:C12 H15 Cl2 N O2 S
SMILES:CC(C)(Oc1cc(Cl)cc(Cl)c1)C(=O)NCCS
InChi:InChI=1S/C12H15Cl2NO2S/c1-12(2,11(16)15-3-4-18)17-10-6-8(13)5-9(14)7-10/h5-7,18H,3-4H2,1-2H3,(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-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide
ZXW
ZXW
表記:5'-O-[(S)-{[(R)-{[(R)-[(2-{[(2S)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
組成式:C15 H24 N7 O15 P3 S
SMILES:NC(CNC(CSP(OP(OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)(=O)O)(O)=O)=O)C=O
InChi:InChI=1S/C15H24N7O15P3S/c16-6(15(26)27)1-18-8(23)3-41-40(32,33)37-39(30,31)36-38(28,29)34-2-7-10(24)11(25)14(35-7)22-5-21-9-12(17)19-4-20-13(9)22/h4-7,10-11,14,24-25H,1-3,16H2,(H,18,23)(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H2,17,19,20)/t6-,7+,10+,11+,14+/m0/s1
定義日:2018-01-18
最終更新日:2024-09-27
公開日:2018-08-22
識別子（ID）:5'-O-[(S)-{[(R)-{[(R)-[(2-{[(2S)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
ZGL
ZGL
表記:D-alpha-glutamine
組成式:C5 H10 N2 O3
SMILES:O=C(N)C(N)CCC(=O)O
InChi:InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m1/s1
別名:Iso-D-glutamine
定義日:2011-10-27
最終更新日:2024-09-27
識別子（ID）:D-alpha-glutamine
YDL
YDL
表記:N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
組成式:C21 H32 F3 N5 O5
SMILES:FC(F)(F)C1CC(C(=O)NC(C=N)CC2CCNC2=O)N(C1)C(=O)C(NC(=O)OC)C(C)(C)C
InChi:InChI=1S/C21H32F3N5O5/c1-20(2,3)15(28-19(33)34-4)18(32)29-10-12(21(22,23)24)8-14(29)17(31)27-13(9-25)7-11-5-6-26-16(11)30/h9,11-15,25H,5-8,10H2,1-4H3,(H,26,30)(H,27,31)(H,28,33)/t11-,12+,13-,14-,15+/m0/s1
別名:Ibuzatrelvir, bound form
定義日:2023-12-01
最終更新日:2024-09-27
公開日:2024-05-15
識別子（ID）:N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
WZJ
WZJ
表記:N-methyl-L-alloisoleucine
組成式:C7 H15 N O2
SMILES:N(C)C(C(=O)O)C(C)CC
InChi:InChI=1S/C7H15NO2/c1-4-5(2)6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t5-,6+/m1/s1
定義日:2020-11-19
最終更新日:2024-09-27
公開日:2020-12-30
識別子（ID）:N-methyl-L-alloisoleucine
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
SCN
SCN
表記:THIOCYANATE ION
組成式:C N S
SMILES:[S-]C#N
InChi:InChI=1S/CHNS/c2-1-3/h3H/p-1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:thiocyanate
TKP
TKP
表記:2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
組成式:C27 H40 Cl N3 O5
SMILES:CC(C)(COC(=O)NC(CC1CCCCC1)C(NC(CC2C(=O)NCC2)CO)=O)c3cc(ccc3)Cl
InChi:InChI=1S/C27H40ClN3O5/c1-27(2,20-9-6-10-21(28)15-20)17-36-26(35)31-23(13-18-7-4-3-5-8-18)25(34)30-22(16-32)14-19-11-12-29-24(19)33/h6,9-10,15,18-19,22-23,32H,3-5,7-8,11-14,16-17H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)/t19-,22-,23-/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-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
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

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