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NSU
NSU
表記:N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
組成式:C13 H18 N4 O6
SMILES:OC(=O)CN(C1COCC1N)C(=O)CN1C=C(C)C(=O)NC1=O
InChi:InChI=1S/C13H18N4O6/c1-7-2-16(13(22)15-12(7)21)3-10(18)17(4-11(19)20)9-6-23-5-8(9)14/h2,8-9H,3-6,14H2,1H3,(H,19,20)(H,15,21,22)/t8-,9-/m0/s1
定義日:2022-04-07
最終更新日:2024-09-27
公開日:2023-04-05
識別子（ID）:N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
ZTA
ZTA
表記:(7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde
組成式:C15 H10 O3
SMILES:O=Cc1c2cc(ccc2ccc1O)c1ccco1
InChi:InChI=1S/C15H10O3/c16-9-13-12-8-11(15-2-1-7-18-15)4-3-10(12)5-6-14(13)17/h1-9,17H
定義日:2023-07-03
最終更新日:2024-09-27
公開日:2023-12-06
識別子（ID）:(7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde
ZTC
ZTC
表記:(2S)-amino(3,5-dimethoxyphenyl)acetic acid
組成式:C10 H13 N O4
SMILES:COc1cc(cc(OC)c1)C(N)C(=O)O
InChi:InChI=1S/C10H13NO4/c1-14-7-3-6(9(11)10(12)13)4-8(5-7)15-2/h3-5,9H,11H2,1-2H3,(H,12,13)/t9-/m0/s1
定義日:2023-03-30
最終更新日:2024-09-27
公開日:2023-06-21
識別子（ID）:(2S)-amino(3,5-dimethoxyphenyl)acetic acid
FP9
FP9
表記:(4R)-4-fluoro-L-proline
組成式:C5 H8 F N O2
SMILES:O=C(O)C1NCC(F)C1
InChi:InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
定義日:2009-08-18
最終更新日:2024-09-27
識別子（ID）:(4R)-4-fluoro-L-proline
FPA
FPA
表記:bromo(difluoro)acetic acid
組成式:C2 H Br F2 O2
SMILES:C(F)(F)(C(=O)O)Br
InChi:InChI=1S/C2HBrF2O2/c3-2(4,5)1(6)7/h(H,6,7)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:bromo(difluoro)acetic acid
ZTG
ZTG
表記:(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine
組成式:C18 H30 Cl N O4 Si
SMILES:Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C)C)C(N)C(=O)O
InChi:InChI=1S/C18H30ClNO4Si/c1-10(2)25(11(3)4,12(5)6)24-17(16(20)18(22)23)13-7-8-15(21)14(19)9-13/h7-12,16-17,21H,20H2,1-6H3,(H,22,23)/t16-,17-/m1/s1
定義日:2023-03-30
最終更新日:2024-09-27
公開日:2023-06-21
識別子（ID）:(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine
ZTK
ZTK
表記:(2S)-2-amino-3-cyanopropanoic acid
組成式:C4 H6 N2 O2
SMILES:N#CCC(N)C(=O)O
InChi:InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1
定義日:2023-03-30
最終更新日:2024-09-27
公開日:2023-06-21
識別子（ID）:(2S)-2-amino-3-cyanopropanoic acid
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
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
FPJ
FPJ
表記:5'-O-[(R)-hydroxy(propanoylamino)phosphoryl]adenosine
組成式:C13 H19 N6 O7 P
SMILES:c2n(c1c(c(ncn1)N)n2)C3C(C(O)C(COP(NC(=O)CC)(O)=O)O3)O
InChi:InChI=1S/C13H19N6O7P/c1-2-7(20)18-27(23,24)25-3-6-9(21)10(22)13(26-6)19-5-17-8-11(14)15-4-16-12(8)19/h4-6,9-10,13,21-22H,2-3H2,1H3,(H2,14,15,16)(H2,18,20,23,24)/t6-,9-,10-,13-/m1/s1
定義日:2018-04-11
最終更新日:2024-09-27
公開日:2018-08-08
識別子（ID）:5'-O-[(R)-hydroxy(propanoylamino)phosphoryl]adenosine
YQV
YQV
表記:methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate
組成式:C42 H59 F N6 O6 S
SMILES:O=S(=O)(c1ccc(cc1)N1CC(CN2CCC(CC2)C(CN2CCC2)(c2cccc(F)c2)C2CCCC2NC(=O)OC)(OC)C1)N1CC2CC1CN2C(=O)CC
InChi:InChI=1S/C42H59FN6O6S/c1-4-39(50)48-24-35-23-34(48)25-49(35)56(52,53)36-14-12-33(13-15-36)47-27-41(28-47,55-3)26-46-20-16-30(17-21-46)42(29-45-18-7-19-45,31-8-5-9-32(43)22-31)37-10-6-11-38(37)44-40(51)54-2/h5,8-9,12-15,22,30,34-35,37-38H,4,6-7,10-11,16-21,23-29H2,1-3H3,(H,44,51)/t34-,35-,37-,38-,42-/m0/s1
定義日:2021-03-24
最終更新日:2024-09-27
公開日:2021-08-11
識別子（ID）:methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate
ZTO
ZTO
表記:N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide
組成式:C23 H19 F N2 O3
SMILES:COc1ccc(cc1)C(=O)Nc1cccc(c1)CC1c2cc(F)ccc2NC1=O
InChi:InChI=1S/C23H19FN2O3/c1-29-18-8-5-15(6-9-18)22(27)25-17-4-2-3-14(11-17)12-20-19-13-16(24)7-10-21(19)26-23(20)28/h2-11,13,20H,12H2,1H3,(H,25,27)(H,26,28)/t20-/m1/s1
定義日:2023-03-31
最終更新日:2024-09-27
公開日:2024-03-27
識別子（ID）:N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide
FPK
FPK
表記:1-formyl-L-proline
組成式:C6 H9 N O3
SMILES:O=CN1C(C(=O)O)CCC1
InChi:InChI=1S/C6H9NO3/c8-4-7-3-1-2-5(7)6(9)10/h4-5H,1-3H2,(H,9,10)/t5-/m0/s1
定義日:2012-10-08
最終更新日:2024-09-27
公開日:2013-05-29
識別子（ID）:1-formyl-L-proline
ZBR
ZBR
表記:1,3,5-tris(bromomethyl)benzene
組成式:C9 H9 Br3
SMILES:BrCc1cc(cc(c1)CBr)CBr
InChi:InChI=1S/C9H9Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2
定義日:2011-02-16
最終更新日:2024-09-27
識別子（ID）:1,3,5-tris(bromomethyl)benzene
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
NTA
NTA
表記:NITRILOTRIACETIC ACID
組成式:C6 H9 N O6
SMILES:O=C(O)CN(CC(=O)O)CC(=O)O
InChi:InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)
定義日:1999-09-02
最終更新日:2024-09-27
識別子（ID）:2,2',2''-nitrilotriacetic acid
ZBZ
ZBZ
表記:S-(phenylcarbonyl)-L-cysteine
組成式:C10 H11 N O3 S
SMILES:O=C(O)C(N)CSC(=O)c1ccccc1
InChi:InChI=1S/C10H11NO3S/c11-8(9(12)13)6-15-10(14)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-/m0/s1
定義日:2010-02-09
最終更新日:2024-09-27
識別子（ID）:S-benzoyl-L-cysteine
FPR
FPR
表記:(3S)-3-amino-4-oxo-7-phenylheptanoic acid
組成式:C13 H17 N O3
SMILES:O=C(O)CC(N)C(=O)CCCc1ccccc1
InChi:InChI=1S/C13H17NO3/c14-11(9-13(16)17)12(15)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,16,17)/t11-/m0/s1
定義日:2003-11-19
最終更新日:2024-09-27
識別子（ID）:(3S)-3-amino-4-oxo-7-phenylheptanoic acid
ZU0
ZU0
表記:O-tert-butyl-L-threonine
組成式:C8 H17 N O3
SMILES:O=C(O)C(N)C(OC(C)(C)C)C
InChi:InChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6+/m1/s1
定義日:2008-12-10
最終更新日:2024-09-27
識別子（ID）:O-tert-butyl-L-threonine
ZU3
ZU3
表記:N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}pentyl]-L-leucinamide
組成式:C32 H49 N5 O7
SMILES:O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)C)CC(C)C)CNC(=O)C(C)(C)C
InChi:InChI=1S/C32H49N5O7/c1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22/h7-11,20,23-26H,12-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t23-,24+,25-,26-/m0/s1
別名:TG-0204998
定義日:2008-10-30
最終更新日:2024-09-27
識別子（ID）:N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-{(2R)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hexan-2-yl}-L-leucinamide
ZU5
ZU5
表記:N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-[(1R)-4-cyclopropyl-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}butyl]-L-leucinamide
組成式:C34 H52 N4 O7
SMILES:O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)C3CC3)CC(C)C)C(OC(C)(C)C)C
InChi:InChI=1S/C34H52N4O7/c1-21(2)18-27(31(41)36-26(14-15-28(39)24-12-13-24)19-25-16-17-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-10-8-7-9-11-23/h7-11,21-22,24-27,29H,12-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t22-,25+,26-,27+,29+/m1/s1
別名:TG-0205486
定義日:2008-12-10
最終更新日:2024-09-27
識別子（ID）:N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2R)-5-cyclopropyl-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-leucinamide
ZCI
ZCI
表記:2-bromo-1H-imidazole
組成式:C3 H3 Br N2
SMILES:Brc1ncc[NH]1
InChi:InChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
定義日:2023-06-23
最終更新日:2024-09-27
公開日:2023-07-12
識別子（ID）:2-bromo-1H-imidazole
ZCL
ZCL
表記:3,4-dichloro-L-phenylalanine
組成式:C9 H9 Cl2 N O2
SMILES:Clc1ccc(cc1Cl)CC(C(=O)O)N
InChi:InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1
定義日:2010-12-29
最終更新日:2024-09-27
識別子（ID）:3,4-dichloro-L-phenylalanine
NTJ
NTJ
表記:R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE
組成式:C4 H12 N O2 P
SMILES:O=P(OCC)N(C)C
InChi:InChI=1S/C4H12NO2P/c1-4-7-8(6)5(2)3/h8H,4H2,1-3H3
定義日:2005-09-07
最終更新日:2024-09-27
識別子（ID）:ethyl (S)-N,N-dimethylphosphonamidoate
YE3
YE3
表記:(8M)-8-(2-{[2-(fluorosulfonyl)ethyl]amino}phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
組成式:C18 H15 F N2 O5 S
SMILES:FS(=O)(=O)CCNc1ccccc1c1cccc2c1NC=C(C2=O)C(=O)O
InChi:InChI=1S/C18H15FN2O5S/c19-27(25,26)9-8-20-15-7-2-1-4-11(15)12-5-3-6-13-16(12)21-10-14(17(13)22)18(23)24/h1-7,10,20H,8-9H2,(H,21,22)(H,23,24)
定義日:2023-12-01
最終更新日:2024-09-27
公開日:2024-09-25
識別子（ID）:(8M)-8-(2-{[2-(fluorosulfonyl)ethyl]amino}phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

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