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Q3P
Q3P
表記:N~6~-glycyl-L-lysine
組成式:C8 H17 N3 O3
SMILES:C(CN)(NCCCCC(N)C(O)=O)=O
InChi:InChI=1S/C8H17N3O3/c9-5-7(12)11-4-2-1-3-6(10)8(13)14/h6H,1-5,9-10H2,(H,11,12)(H,13,14)/t6-/m0/s1
定義日:2019-09-16
最終更新日:2024-09-27
公開日:2019-10-23
識別子（ID）:N~6~-glycyl-L-lysine
SHU
SHU
表記:4,6-DIOXOHEPTANOIC ACID
組成式:C7 H10 O4
SMILES:O=C(CC(=O)C)CCC(=O)O
InChi:InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
別名:SUCCINYLACETONE
定義日:2001-07-09
最終更新日:2024-09-27
識別子（ID）:4,6-dioxoheptanoic acid
SHV
SHV
表記:HEPTANOIC ACID
組成式:C7 H14 O2
SMILES:O=C(O)CCCCCC
InChi:InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
定義日:2004-04-19
最終更新日:2024-09-27
識別子（ID）:heptanoic acid
TQQ
TQQ
表記:(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
組成式:C11 H11 N3 O3
SMILES:O=C(O)C(N)Cc2c1C=CC(=[N@H])C(=O)c1nc2
InChi:InChI=1S/C11H11N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,12,14H,3,13H2,(H,16,17)/b12-7-/t8-/m0/s1
別名:3-[(6E)-6-IMINO-7-OXO-6,7-DIHYDRO-1H-INDOL-3-YL]-L-ALANINE
定義日:2005-08-10
最終更新日:2024-09-27
識別子（ID）:3-[(6Z)-6-imino-7-oxo-6,7-dihydro-1H-indol-3-yl]-L-alanine
P9F
P9F
表記:(2S)-2-[[(2S)-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid
組成式:C25 H29 Cl N2 O5
SMILES:OC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC2CCCCC2)NC(=O)Oc3ccc(Cl)cc3
InChi:InChI=1S/C25H29ClN2O5/c26-19-11-13-20(14-12-19)33-25(32)28-21(15-17-7-3-1-4-8-17)23(29)27-22(24(30)31)16-18-9-5-2-6-10-18/h2,5-6,9-14,17,21-22H,1,3-4,7-8,15-16H2,(H,27,29)(H,28,32)(H,30,31)/t21-,22-/m0/s1
別名:(2~{S})-2-[[(2~{S})-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid
定義日:2022-10-04
最終更新日:2024-09-27
公開日:2023-10-04
識別子（ID）:(2~{S})-2-[[(2~{S})-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid
L68
L68
表記:2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid
組成式:C23 H16 F2 N4 O3
SMILES:Cn1cc(cn1)c2ccc(C(O)=O)c(C=CC(=O)c3c(F)cc(cc3F)c4c[nH]nc4)c2
InChi:InChI=1S/C23H16F2N4O3/c1-29-12-17(11-28-29)13-2-4-18(23(31)32)14(6-13)3-5-21(30)22-19(24)7-15(8-20(22)25)16-9-26-27-10-16/h2-12H,1H3,(H,26,27)(H,31,32)/b5-3+
定義日:2019-07-23
最終更新日:2024-09-27
公開日:2019-11-27
識別子（ID）:2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid
SHW
SHW
表記:S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3R)-3-hydroxyoctanethioate
組成式:C19 H37 N2 O9 P S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CC(O)CCCCC
InChi:InChI=1S/C19H37N2O9PS/c1-4-5-6-7-14(22)12-16(24)32-11-10-20-15(23)8-9-21-18(26)17(25)19(2,3)13-30-31(27,28)29/h14,17,22,25H,4-13H2,1-3H3,(H,20,23)(H,21,26)(H2,27,28,29)/t14-,17-/m1/s1
定義日:2009-10-15
最終更新日:2024-09-27
識別子（ID）:S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxyoctanethioate
MSO
MSO
表記:SELENOMETHIONINE SELENOXIDE
組成式:C5 H11 N O3 Se
SMILES:O=C(O)C(N)CC[Se](=O)C
InChi:InChI=1S/C5H11NO3Se/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1
定義日:2000-08-18
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-4-(methylseleninyl)butanoic acid
OF9
OF9
表記:(2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide
組成式:C28 H32 F4 N4 O4
SMILES:O[CH]([CH](Cc1ccccc1)NC(=O)[CH]2CC(F)(F)CN2C(=O)C3CCC(F)(F)CC3)C(=O)NCc4ccccn4
InChi:InChI=1S/C28H32F4N4O4/c29-27(30)11-9-19(10-12-27)26(40)36-17-28(31,32)15-22(36)24(38)35-21(14-18-6-2-1-3-7-18)23(37)25(39)34-16-20-8-4-5-13-33-20/h1-8,13,19,21-23,37H,9-12,14-17H2,(H,34,39)(H,35,38)/t21-,22-,23+/m1/s1
定義日:2023-01-31
最終更新日:2024-09-27
公開日:2023-08-16
識別子（ID）:(2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide
L6B
L6B
表記:methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate
組成式:C15 H18 N2 O4
SMILES:COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O
InChi:InChI=1S/C15H18N2O4/c1-21-13(18)7-4-8-16-14(19)11-9-10-5-2-3-6-12(10)17-15(11)20/h4,8-9H,2-3,5-7H2,1H3,(H,16,19)(H,17,20)/b8-4+
定義日:2019-07-23
最終更新日:2024-09-27
公開日:2019-11-27
識別子（ID）:methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate
L6C
L6C
表記:phenyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
組成式:C16 H15 N O3
SMILES:O=C(Oc1ccccc1)NC(c2ccccc2)CC=O
InChi:InChI=1S/C16H15NO3/c18-12-11-15(13-7-3-1-4-8-13)17-16(19)20-14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H,17,19)/t15-/m1/s1
定義日:2013-02-11
最終更新日:2024-09-27
公開日:2013-05-22
識別子（ID）:phenyl [(1R)-3-oxo-1-phenylpropyl]carbamate
TQV
TQV
表記:O-CRESYL-SALIGENIN PHOSPHATE
組成式:C14 H15 O5 P
SMILES:O=P(O)(Oc1ccccc1C)OCc2ccccc2O
InChi:InChI=1S/C14H15O5P/c1-11-6-2-5-9-14(11)19-20(16,17)18-10-12-7-3-4-8-13(12)15/h2-9,15H,10H2,1H3,(H,16,17)
定義日:2012-10-03
最終更新日:2024-09-27
公開日:2013-02-01
識別子（ID）:2-hydroxybenzyl 2-methylphenyl hydrogen (S)-phosphate
L6E
L6E
表記:[2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate
組成式:C17 H21 N3 O5
SMILES:CNC(=O)COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O
InChi:InChI=1S/C17H21N3O5/c1-18-14(21)10-25-15(22)7-4-8-19-16(23)12-9-11-5-2-3-6-13(11)20-17(12)24/h4,7,9H,2-3,5-6,8,10H2,1H3,(H,18,21)(H,19,23)(H,20,24)/b7-4+
定義日:2019-07-23
最終更新日:2024-09-27
公開日:2019-11-27
識別子（ID）:[2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate
TQW
TQW
表記:4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde
組成式:C17 H17 N O4 S
SMILES:COc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:InChI=1S/C17H17NO4S/c1-22-15-6-9-17-14(11-15)3-2-10-18(17)23(20,21)16-7-4-13(12-19)5-8-16/h4-9,11-12H,2-3,10H2,1H3
定義日:2021-01-13
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde
MSU
MSU
表記:SUCCINIC ACID MONOMETHYL ESTER
組成式:C5 H8 O4
SMILES:O=C(O)CCC(=O)OC
InChi:InChI=1S/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:4-methoxy-4-oxobutanoic acid
TBE
TBE
表記:TAZOBACTAM INTERMEDIATE
組成式:C10 H14 N4 O5 S
SMILES:O=S(=O)C(Cn1nncc1)(C)C(C(=O)O)N/C=CC=O
InChi:InChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11,20H,7H2,1H3,(H,16,17)/b3-2-/t8-,10-/m0/s1
定義日:2004-07-28
最終更新日:2024-09-27
識別子（ID）:(3S)-3-(dioxidosulfanyl)-N-[(1Z)-3-oxoprop-1-en-1-yl]-4-(1H-1,2,3-triazol-1-yl)-D-valine
SI3
SI3
表記:5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid
組成式:C11 H19 N O9
SMILES:O=C(O)C(=O)CC(O)C(NC(=O)C)C(O)C(O)C(O)CO
InChi:InChI=1S/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,7+,8+,9+,10+/m0/s1
別名:N-acetylneuraminic acid, ketone form
定義日:2013-01-04
最終更新日:2024-09-27
公開日:2013-11-06
識別子（ID）:5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid
MSW
MSW
表記:[(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
組成式:C13 H20 N O5 P
SMILES:CCC[P](O)(=O)O[CH](CNC(=O)OC)c1ccccc1
InChi:InChI=1S/C13H20NO5P/c1-3-9-20(16,17)19-12(10-14-13(15)18-2)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,14,15)(H,16,17)/t12-/m1/s1
定義日:2016-09-06
最終更新日:2024-09-27
公開日:2017-09-13
識別子（ID）:[(1~{S})-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
TBF
TBF
表記:TERT-BUTYL FORMATE
組成式:C5 H10 O2
SMILES:O=COC(C)(C)C
InChi:InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3
別名:TERTIARY BUTOXY CARBONYL
定義日:2003-12-18
最終更新日:2024-09-27
識別子（ID）:tert-butyl formate
U5G
U5G
表記:boceprevir (bound form)
組成式:C27 H47 N5 O5
SMILES:C(=O)(NC(C)(C)C)NC(C(C)(C)C)C(N1CC3C(C1C(=O)NC(CC2CCC2)C(O)C(=O)N)C3(C)C)=O
InChi:InChI=1S/C27H47N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-20,33H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16-,17-,18-,19+,20+/m0/s1
別名:(1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
定義日:2020-04-23
最終更新日:2024-09-27
公開日:2020-05-06
識別子（ID）:(1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
TBG
TBG
表記:3-methyl-L-valine
組成式:C6 H13 N O2
SMILES:O=C(O)C(N)C(C)(C)C
InChi:InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-methyl-L-valine
L6H
L6H
表記:[2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate
組成式:C28 H38 N4 O7
SMILES:O=C(COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O)NCCCNC(=O)O[CH]3CCCC=CCC3
InChi:InChI=1S/C28H38N4O7/c33-24(29-16-9-17-31-28(37)39-21-11-4-2-1-3-5-12-21)19-38-25(34)14-8-15-30-26(35)22-18-20-10-6-7-13-23(20)32-27(22)36/h1-2,8,14,18,21H,3-7,9-13,15-17,19H2,(H,29,33)(H,30,35)(H,31,37)(H,32,36)/b2-1?,14-8+/t21-/m1/s1
定義日:2019-07-23
最終更新日:2024-09-27
公開日:2019-11-27
識別子（ID）:[2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate
TQZ
TQZ
表記:2-AMINO-3-PENTASULFANYLPROPAN-1-OL
組成式:C3 H7 N O2 S5
SMILES:O=C(O)C(N)CSSSSS
InChi:InChI=1S/C3H7NO2S5/c4-2(3(5)6)1-8-10-11-9-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
定義日:2013-04-23
最終更新日:2024-09-27
公開日:2013-11-27
識別子（ID）:3-pentasulfanyl-L-alanine
OFH
OFH
表記:(4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide
組成式:C23 H24 Cl F6 N3 O5 S
SMILES:O=S(=O)(c1ccc(OC(C)C(F)(F)F)cc1Cl)C4CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C3(C(F)(F)F)CC3)C4
InChi:InChI=1S/C23H24ClF6N3O5S/c1-12(22(25,26)27)38-13-2-3-17(15(24)8-13)39(36,37)14-9-16(18(34)32-20(11-31)4-5-20)33(10-14)19(35)21(6-7-21)23(28,29)30/h2-3,8,11-12,14,16,31H,4-7,9-10H2,1H3,(H,32,34)/b31-11+/t12-,14+,16-/m0/s1
定義日:2013-05-28
最終更新日:2024-09-27
公開日:2014-06-11
識別子（ID）:(4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide
TBI
TBI
表記:TAZOBACTAM TRANS-ENAMINE INTERMEDIATE
組成式:C10 H14 N4 O5 S
SMILES:O=S(=O)C(Cn1nncc1)(C)C(C(=O)O)NC=CC=O
InChi:InChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11,20H,7H2,1H3,(H,16,17)/b3-2+/t8-,10-/m0/s1
定義日:2003-11-20
最終更新日:2024-09-27
識別子（ID）:(3S)-3-(dioxidosulfanyl)-N-[(1E)-3-oxoprop-1-en-1-yl]-4-(1H-1,2,3-triazol-1-yl)-D-valine

243911

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