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LWZ
LWZ
表記:3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide
組成式:C6 H10 N4 O S2
SMILES:SC(S)CC(=O)NCc1c[nH]nn1
InChi:InChI=1S/C6H10N4OS2/c11-5(1-6(12)13)7-2-4-3-8-10-9-4/h3,6,12-13H,1-2H2,(H,7,11)(H,8,9,10)
定義日:2019-09-25
最終更新日:2024-09-27
公開日:2020-08-05
識別子（ID）:3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide
ZYA
ZYA
表記:BENZOYL-TYROSINE-ALANINE-FLUORO-METHYL KETONE
組成式:C21 H23 F N2 O5
SMILES:FCC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)Cc2ccc(O)cc2)C
InChi:InChI=1S/C21H23FN2O5/c1-14(19(26)12-22)23-20(27)18(11-15-7-9-17(25)10-8-15)24-21(28)29-13-16-5-3-2-4-6-16/h2-10,14,18,25H,11-13H2,1H3,(H,23,27)(H,24,28)/t14-,18-/m0/s1
別名:Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-L-tyrosinamide
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-L-tyrosinamide
ZHW
ZHW
表記:(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate
組成式:C9 H10 F N O3 S
SMILES:FS(=O)(=O)Oc1cccc2c1CCC2N
InChi:InChI=1S/C9H10FNO3S/c10-15(12,13)14-9-3-1-2-6-7(9)4-5-8(6)11/h1-3,8H,4-5,11H2/t8-/m1/s1
定義日:2023-03-10
最終更新日:2024-09-27
公開日:2023-07-05
識別子（ID）:(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate
Y37
Y37
表記:(1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid
組成式:C14 H18 F N2 O7 P
SMILES:C1C(C(=CC1C(O)=O)NCc2c(cnc(C)c2O)COP(O)(O)=O)F
InChi:InChI=1S/C14H18FN2O7P/c1-7-13(18)10(9(4-16-7)6-24-25(21,22)23)5-17-12-3-8(14(19)20)2-11(12)15/h3-4,8,11,17-18H,2,5-6H2,1H3,(H,19,20)(H2,21,22,23)/t8-,11-/m1/s1
定義日:2021-02-01
最終更新日:2024-09-27
公開日:2022-02-16
識別子（ID）:(1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid
KPN
KPN
表記:N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine
組成式:C16 H18 N4 O3
SMILES:O=C(O)CN(C(=O)Cc2cnc(c1ncccc1)cc2)CCN
InChi:InChI=1S/C16H18N4O3/c17-6-8-20(11-16(22)23)15(21)9-12-4-5-14(19-10-12)13-3-1-2-7-18-13/h1-5,7,10H,6,8-9,11,17H2,(H,22,23)
定義日:2010-04-20
最終更新日:2024-09-27
識別子（ID）:N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine
XPM
XPM
表記:tetradecylpropanedioic acid
組成式:C17 H32 O4
SMILES:O=C(O)C(C(=O)O)CCCCCCCCCCCCCC
InChi:InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(18)19)17(20)21/h15H,2-14H2,1H3,(H,18,19)(H,20,21)
定義日:2011-10-05
最終更新日:2024-09-27
公開日:2012-08-24
識別子（ID）:tetradecylpropanedioic acid
KAT
KAT
表記:(4-phenylpiperazin-1-yl)(1H-1,2,3-triazol-1-yl)methanone
組成式:C13 H15 N5 O
SMILES:C1N(CCN(C1)C(n2ccnn2)=O)c3ccccc3
InChi:InChI=1S/C13H15N5O/c19-13(18-7-6-14-15-18)17-10-8-16(9-11-17)12-4-2-1-3-5-12/h1-7H,8-11H2
定義日:2018-04-20
最終更新日:2024-09-27
公開日:2018-11-21
識別子（ID）:(4-phenylpiperazin-1-yl)(1H-1,2,3-triazol-1-yl)methanone
PLW
PLW
表記:(2S)-2-[5-(1S,2S)-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID
組成式:C10 H18 N4 O2
SMILES:O=C(O)C(n1nncc1C(N)C(C)CC)C
InChi:InChI=1S/C10H18N4O2/c1-4-6(2)9(11)8-5-12-13-14(8)7(3)10(15)16/h5-7,9H,4,11H2,1-3H3,(H,15,16)/t6-,7-,9-/m0/s1
定義日:2011-12-08
最終更新日:2024-09-27
識別子（ID）:(2S)-2-{5-[(1S,2S)-1-amino-2-methylbutyl]-1H-1,2,3-triazol-1-yl}propanoic acid
KPR
KPR
表記:[(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate
組成式:C5 H10 N O5 P
SMILES:C[CH](N)C(=O)C=CO[P](O)(O)=O
InChi:InChI=1S/C5H10NO5P/c1-4(6)5(7)2-3-11-12(8,9)10/h2-4H,6H2,1H3,(H2,8,9,10)/b3-2+/t4-/m0/s1
定義日:2016-08-11
最終更新日:2024-09-27
公開日:2017-01-18
識別子（ID）:[(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate
NJC
NJC
表記:(2S,6R)-N-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxane-4-carboxamide
組成式:C25 H35 Cl2 N3 O3
SMILES:C[CH]1CC(C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)NCC3CC4(CCN(CC4)C(=O)CCl)C3
InChi:InChI=1S/C25H35Cl2N3O3/c1-17-11-25(12-18(2)33-17,29-21-5-3-20(27)4-6-21)23(32)28-16-19-13-24(14-19)7-9-30(10-8-24)22(31)15-26/h3-6,17-19,29H,7-16H2,1-2H3,(H,28,32)/t17-,18+,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~{S},6~{R})-~{N}-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxane-4-carboxamide
Y3A
Y3A
表記:N-[(benzyloxy)carbonyl]glycyl-N-[(2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide
組成式:C22 H26 Cl N3 O5
SMILES:ClCC(O)C(NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)Cc2ccccc2
InChi:InChI=1S/C22H26ClN3O5/c23-12-19(27)18(11-16-7-3-1-4-8-16)26-21(29)14-24-20(28)13-25-22(30)31-15-17-9-5-2-6-10-17/h1-10,18-19,27H,11-15H2,(H,24,28)(H,25,30)(H,26,29)/t18-,19-/m0/s1
別名:Z-Gly-Gly-Phe-Chloromethyl ketone (bound form)
定義日:2013-01-28
最終更新日:2024-09-27
公開日:2013-05-08
識別子（ID）:N-[(benzyloxy)carbonyl]glycyl-N-[(2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide
ZHZ
ZHZ
表記:2-(4-METHOXYPHENYL)ACETAMIDE
組成式:C9 H11 N O2
SMILES:O=C(N)Cc1ccc(OC)cc1
InChi:InChI=1S/C9H11NO2/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
定義日:2006-10-27
最終更新日:2024-09-27
識別子（ID）:2-(4-methoxyphenyl)acetamide
XPR
XPR
表記:(2S,3aS,6R,7aS)-6-(sulfooxy)octahydro-1H-indole-2-carboxylic acid
組成式:C9 H15 N O6 S
SMILES:O=S(=O)(O)OC1CCC2CC(C(=O)O)NC2C1
InChi:InChI=1S/C9H15NO6S/c11-9(12)8-3-5-1-2-6(4-7(5)10-8)16-17(13,14)15/h5-8,10H,1-4H2,(H,11,12)(H,13,14,15)/t5-,6+,7-,8-/m0/s1
定義日:2010-11-05
最終更新日:2024-09-27
識別子（ID）:(2S,3aS,6R,7aS)-6-(sulfooxy)octahydro-1H-indole-2-carboxylic acid
SFW
SFW
表記:1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole
組成式:C17 H13 F3 N2
SMILES:Cc1ccc(n2ccnc2c3ccccc3)c(c1)C(F)(F)F
InChi:InChI=1S/C17H13F3N2/c1-12-7-8-15(14(11-12)17(18,19)20)22-10-9-21-16(22)13-5-3-2-4-6-13/h2-11H,1H3
定義日:2020-11-16
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole
KPS
KPS
表記:pseudouridine 5'-phosphate, linear
組成式:C9 H15 N2 O9 P
SMILES:O=C1C(=CNC(=O)N1)CC(O)C(O)C(O)COP(=O)(O)O
InChi:InChI=1S/C9H15N2O9P/c12-5(1-4-2-10-9(16)11-8(4)15)7(14)6(13)3-20-21(17,18)19/h2,5-7,12-14H,1,3H2,(H2,17,18,19)(H2,10,11,15,16)/t5-,6+,7-/m0/s1
別名:1-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol
定義日:2012-08-16
最終更新日:2024-09-27
公開日:2012-10-26
識別子（ID）:1-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol
MBQ
MBQ
表記:2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE
組成式:C20 H22 N2 O6
SMILES:O=C(O)C(N)Cc2c(O)cc(O)c(NC(=CC=O)COc1ccc(cc1)C)c2
InChi:InChI=1S/C20H22N2O6/c1-12-2-4-15(5-3-12)28-11-14(6-7-23)22-17-9-13(8-16(21)20(26)27)18(24)10-19(17)25/h2-7,9-10,16,22,24-25H,8,11,21H2,1H3,(H,26,27)/b14-6+/t16-/m0/s1
定義日:2004-03-04
最終更新日:2024-09-27
識別子（ID）:2-hydroxy-5-({(1E)-1-[(4-methylphenoxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine
LX5
LX5
表記:[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate
組成式:C6 H12 O7 S
SMILES:OC[CH]1[CH](O)[CH](O)C[CH]1O[S](O)(=O)=O
InChi:InChI=1S/C6H12O7S/c7-2-3-5(13-14(10,11)12)1-4(8)6(3)9/h3-9H,1-2H2,(H,10,11,12)/t3-,4+,5+,6+/m1/s1
定義日:2019-09-26
最終更新日:2024-09-27
公開日:2020-02-26
識別子（ID）:[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate
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)
PLZ
PLZ
表記:4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID
組成式:C12 H19 N2 O7 P
SMILES:O=P(O)(O)OCc1cnc(c(O)c1CNCCCC(=O)O)C
InChi:InChI=1S/C12H19N2O7P/c1-8-12(17)10(6-13-4-2-3-11(15)16)9(5-14-8)7-21-22(18,19)20/h5,13,17H,2-4,6-7H2,1H3,(H,15,16)(H2,18,19,20)
定義日:2007-01-18
最終更新日:2024-09-27
識別子（ID）:4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid
V8N
V8N
表記:2-[3-(aminomethyl)phenyl]ethanoic acid
組成式:C9 H11 N O2
SMILES:NCc1cccc(CC(O)=O)c1
InChi:InChI=1S/C9H11NO2/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
定義日:2021-04-29
最終更新日:2024-09-27
公開日:2022-04-06
識別子（ID）:2-[3-(aminomethyl)phenyl]ethanoic acid
ZI3
ZI3
表記:N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
組成式:C22 H23 Cl N2 O3
SMILES:O=C(NC1(COC1)c1ccc(Cl)cc1)c1cccc2N(CCCc21)C(=O)CC
InChi:InChI=1S/C22H23ClN2O3/c1-2-20(26)25-12-4-6-17-18(5-3-7-19(17)25)21(27)24-22(13-28-14-22)15-8-10-16(23)11-9-15/h3,5,7-11H,2,4,6,12-14H2,1H3,(H,24,27)
定義日:2023-06-23
最終更新日:2024-09-27
公開日:2023-07-05
識別子（ID）:N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
WY2
WY2
表記:(6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID
組成式:C15 H13 N3 O4 S2
SMILES:O=C(O)C1=NC=C(C(=O)O)C(SC1)c2nc3sc4c(n3c2)CCC4
InChi:InChI=1S/C15H13N3O4S2/c19-13(20)7-4-16-9(14(21)22)6-23-12(7)8-5-18-10-2-1-3-11(10)24-15(18)17-8/h4-5,12H,1-3,6H2,(H,19,20)(H,21,22)/t12-/m1/s1
定義日:2003-08-21
最終更新日:2024-09-27
識別子（ID）:(7R)-7-(6,7-dihydro-5H-cyclopenta[d]imidazo[2,1-b][1,3]thiazol-2-yl)-2,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid
NYB
NYB
表記:N-METHYL-S-[(1R)-1-METHYLPROPYL]-L-CYSTEINE
組成式:C8 H17 N O2 S
SMILES:O=C(O)C(NC)CSC(CC)C
InChi:InChI=1S/C8H17NO2S/c1-4-6(2)12-5-7(9-3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t6-,7+/m1/s1
定義日:2010-07-14
最終更新日:2024-09-27
識別子（ID）:N-methyl-S-[(1R)-1-methylpropyl]-L-cysteine
ZYJ
ZYJ
表記:(4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline
組成式:C14 H18 N2 O5
SMILES:O=C(O)C2NCC(ON=Cc1ccc(OC)c(OC)c1)C2
InChi:InChI=1S/C14H18N2O5/c1-19-12-4-3-9(5-13(12)20-2)7-16-21-10-6-11(14(17)18)15-8-10/h3-5,7,10-11,15H,6,8H2,1-2H3,(H,17,18)/b16-7+/t10-,11+/m1/s1
定義日:2010-10-22
最終更新日:2024-09-27
識別子（ID）:(4R)-4-({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline
ZYK
ZYK
表記:(4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline
組成式:C14 H18 N2 O6
SMILES:O=C(NOC1CC(C(=O)O)NC1)c2ccc(OC)c(OC)c2
InChi:InChI=1S/C14H18N2O6/c1-20-11-4-3-8(5-12(11)21-2)13(17)16-22-9-6-10(14(18)19)15-7-9/h3-5,9-10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,10+/m1/s1
別名:3,4-dimethoxybenzamidoxy proline
定義日:2010-10-22
最終更新日:2024-09-27
識別子（ID）:(4R)-4-{[(3,4-dimethoxybenzoyl)amino]oxy}-L-proline

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