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GW2
GW2
表記:(2~{S})-~{N}-[(2~{S},3~{S},4~{R})-1-[(1~{S},4~{a}~{S},8~{a}~{R})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,5-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
組成式:C35 H56 N4 O7
SMILES:COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](C[CH]3CCC[CH]4CCCC[CH]34)[CH](O)[CH](C)CO)cc1
InChi:InChI=1S/C35H56N4O7/c1-23(22-40)33(42)30(20-27-9-6-8-26-7-4-5-10-29(26)27)37-35(44)31(19-25-11-13-28(45-3)14-12-25)38-34(43)24(2)36-32(41)21-39-15-17-46-18-16-39/h11-14,23-24,26-27,29-31,33,40,42H,4-10,15-22H2,1-3H3,(H,36,41)(H,37,44)(H,38,43)/t23-,24+,26+,27+,29-,30+,31+,33+/m1/s1
定義日:2018-10-11
最終更新日:2024-09-27
公開日:2019-01-30
識別子（ID）:(2~{S})-~{N}-[(2~{S},3~{S},4~{R})-1-[(1~{S},4~{a}~{S},8~{a}~{R})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,5-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
GW7
GW7
表記:N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine
組成式:C21 H17 Cl F N3 O S
SMILES:Fc1cccc(c1)COc2ccc(cc2Cl)Nc4ncnc3c4sc(c3)CC
InChi:InChI=1S/C21H17ClFN3OS/c1-2-16-10-18-20(28-16)21(25-12-24-18)26-15-6-7-19(17(22)9-15)27-11-13-4-3-5-14(23)8-13/h3-10,12H,2,11H2,1H3,(H,24,25,26)
定義日:2007-10-01
最終更新日:2024-09-27
識別子（ID）:N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine
GW9
GW9
表記:2-chloro-5-nitro-N-phenylbenzamide
組成式:C13 H9 Cl N2 O3
SMILES:O=C(c1cc(ccc1Cl)[N+]([O-])=O)Nc2ccccc2
InChi:InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)
定義日:2008-09-18
最終更新日:2024-09-27
識別子（ID）:2-chloro-5-nitro-N-phenylbenzamide
GWK
GWK
表記:(2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
組成式:C32 H52 N4 O7
SMILES:COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](C[CH]3CC[CH](C)CC3)[CH](O)C(C)(C)O)cc1
InChi:InChI=1S/C32H52N4O7/c1-21-6-8-23(9-7-21)18-26(29(38)32(3,4)41)34-31(40)27(19-24-10-12-25(42-5)13-11-24)35-30(39)22(2)33-28(37)20-36-14-16-43-17-15-36/h10-13,21-23,26-27,29,38,41H,6-9,14-20H2,1-5H3,(H,33,37)(H,34,40)(H,35,39)/t21-,22-,23-,26-,27-,29+/m0/s1
定義日:2018-10-11
最終更新日:2024-09-27
公開日:2019-01-30
識別子（ID）:(2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
GWT
GWT
表記:(2~{S})-~{N}-[(2~{S},3~{R})-1-(4-cyclohexylcyclohexyl)-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoyl]amino]propanamide
組成式:C37 H61 N4 O7
SMILES:COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)C[NH+]2CCOCC2)C(=O)N[CH](C[CH]3CC[CH](CC3)C4CCCCC4)[CH](O)C(C)(C)O)cc1
InChi:InChI=1S/C37H60N4O7/c1-25(38-33(42)24-41-18-20-48-21-19-41)35(44)40-32(23-27-12-16-30(47-4)17-13-27)36(45)39-31(34(43)37(2,3)46)22-26-10-14-29(15-11-26)28-8-6-5-7-9-28/h12-13,16-17,25-26,28-29,31-32,34,43,46H,5-11,14-15,18-24H2,1-4H3,(H,38,42)(H,39,45)(H,40,44)/p+1/t25-,26-,29-,31-,32-,34+/m0/s1
定義日:2018-10-12
最終更新日:2024-09-27
公開日:2019-01-30
識別子（ID）:(2~{S})-~{N}-[(2~{S},3~{R})-1-(4-cyclohexylcyclohexyl)-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoyl]amino]propanamide
GWZ
GWZ
表記:(2~{S})-~{N}-[(2~{S})-1-[[(3~{R},4~{S})-2,6-dimethyl-2,3-bis(oxidanyl)heptan-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)-4-phenyl-butanoyl]amino]pentanamide
組成式:C40 H61 N5 O7
SMILES:CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(C)C)NC(=O)[CH](CCc2ccccc2)NC(=O)CN3CCOCC3)[CH](O)C(C)(C)O
InChi:InChI=1S/C40H61N5O7/c1-27(2)23-32(36(47)40(5,6)51)42-39(50)34(25-30-15-11-8-12-16-30)44-38(49)33(24-28(3)4)43-37(48)31(18-17-29-13-9-7-10-14-29)41-35(46)26-45-19-21-52-22-20-45/h7-16,27-28,31-34,36,47,51H,17-26H2,1-6H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,36+/m0/s1
定義日:2018-10-12
最終更新日:2024-09-27
公開日:2019-01-30
識別子（ID）:(2~{S})-~{N}-[(2~{S})-1-[[(3~{R},4~{S})-2,6-dimethyl-2,3-bis(oxidanyl)heptan-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)-4-phenyl-butanoyl]amino]pentanamide
GX1
GX1
表記:2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}guanosine
組成式:C12 H19 N6 O6 P S
SMILES:O=P(O)(OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O)NCCS
InChi:InChI=1S/C12H19N6O6PS/c13-12-16-10-9(11(20)17-12)14-5-18(10)8-3-6(19)7(24-8)4-23-25(21,22)15-1-2-26/h5-8,19,26H,1-4H2,(H2,15,21,22)(H3,13,16,17,20)/t6-,7+,8+/m0/s1
定義日:2009-09-09
最終更新日:2024-09-27
識別子（ID）:2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}guanosine
E5U
E5U
表記:2-methoxypropanedioic acid
組成式:C4 H6 O5
SMILES:COC(C(O)=O)C(O)=O
InChi:InChI=1S/C4H6O5/c1-9-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
定義日:2019-10-23
最終更新日:2024-09-27
公開日:2019-12-18
識別子（ID）:2-methoxypropanedioic acid
E5X
E5X
表記:4-(hydroxymethyl)benzoic acid
組成式:C8 H8 O3
SMILES:OCc1ccc(cc1)C(O)=O
InChi:InChI=1S/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11)
定義日:2019-10-24
最終更新日:2024-09-27
公開日:2020-07-15
識別子（ID）:4-(hydroxymethyl)benzoic acid
E62
E62
表記:(3S,4R,8S,9S,11E)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
組成式:C20 H27 N O6
SMILES:CC1C(OC(c2c(C=CCC(C(C(CC1)=O)O)O)cc(NC)cc2O)=O)C
InChi:InChI=1S/C20H27NO6/c1-11-7-8-16(23)19(25)15(22)6-4-5-13-9-14(21-3)10-17(24)18(13)20(26)27-12(11)2/h4-5,9-12,15,19,21-22,24-25H,6-8H2,1-3H3/b5-4+/t11-,12+,15+,19+/m1/s1
定義日:2016-02-08
最終更新日:2024-09-27
公開日:2017-05-03
識別子（ID）:(3S,4R,8S,9S,11E)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
E64
E64
表記:N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
組成式:C15 H30 N5 O5
SMILES:O=C(O)CC(O)C(=O)NC(C(=O)NCCCCNC(=[NH2+])N)CC(C)C
InChi:InChI=1S/C15H29N5O5/c1-9(2)7-10(20-14(25)11(21)8-12(22)23)13(24)18-5-3-4-6-19-15(16)17/h9-11,21H,3-8H2,1-2H3,(H,18,24)(H,20,25)(H,22,23)(H4,16,17,19)/p+1/t10-,11-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:amino{[4-({N-[(2S)-3-carboxy-2-hydroxypropanoyl]-L-leucyl}amino)butyl]amino}methaniminium
E69
E69
表記:N~2~-[(3S)-4-({(2R)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamide
組成式:C26 H49 N11 O6
SMILES:O=C(N)C1N(C(=O)C(NC(=O)CC(O)C(=O)NC(C(=O)NCCCCNC(=[N@H])N)CC(C)C)CCCNC(=[N@H])N)CCC1
InChi:InChI=1S/C26H49N11O6/c1-15(2)13-17(22(41)32-9-3-4-10-33-25(28)29)36-23(42)19(38)14-20(39)35-16(7-5-11-34-26(30)31)24(43)37-12-6-8-18(37)21(27)40/h15-19,38H,3-14H2,1-2H3,(H2,27,40)(H,32,41)(H,35,39)(H,36,42)(H4,28,29,33)(H4,30,31,34)/t16-,17+,18-,19-/m0/s1
定義日:2014-05-15
最終更新日:2024-09-27
公開日:2014-11-05
識別子（ID）:N~2~-[(3S)-4-({(2R)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamide
E6C
E6C
表記:N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE
組成式:C15 H28 N2 O5
SMILES:O=C(O)CC(O)C(=O)NC(C(=O)NCCC(C)C)CC(C)C
InChi:InChI=1S/C15H28N2O5/c1-9(2)5-6-16-14(21)11(7-10(3)4)17-15(22)12(18)8-13(19)20/h9-12,18H,5-8H2,1-4H3,(H,16,21)(H,17,22)(H,19,20)/t11-,12-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(3S)-3-hydroxy-4-({(1S)-3-methyl-1-[(3-methylbutyl)carbamoyl]butyl}amino)-4-oxobutanoic acid
E6D
E6D
表記:ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
組成式:C17 H32 N2 O5
SMILES:CC(C)CCNC(=O)C(CC(C)C)NC(=O)C(O)CC(=O)OCC
InChi:InChI=1S/C17H32N2O5/c1-6-24-15(21)10-14(20)17(23)19-13(9-12(4)5)16(22)18-8-7-11(2)3/h11-14,20H,6-10H2,1-5H3,(H,18,22)(H,19,23)/t13-,14-/m0/s1
定義日:2015-12-01
最終更新日:2024-09-27
公開日:2016-04-13
識別子（ID）:ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
E6F
E6F
表記:(1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid
組成式:C7 H13 N O2
SMILES:N[CH]1CCCC[CH]1C(O)=O
InChi:InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m0/s1
定義日:2019-10-29
最終更新日:2024-09-27
公開日:2020-09-02
識別子（ID）:(1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid
E7P
E7P
表記:(2S)-2-amino-4-phosphonobutanoic acid
組成式:C4 H10 N O5 P
SMILES:OP(=O)(CCC(C(O)=O)N)O
InChi:InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
定義日:2017-12-06
最終更新日:2024-09-27
公開日:2018-02-07
識別子（ID）:(2S)-2-amino-4-phosphonobutanoic acid
E87
E87
表記:(2R)-3-{[(2R)-2-(decanoylamino)-3-hydroxypropyl]sulfanyl}propane-1,2-diyl ditetradecanoate
組成式:C44 H85 N O6 S
SMILES:C(CCCCCCCC)C(NC(CO)CSCC(OC(CCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCC)=O
InChi:InChI=1S/C44H85NO6S/c1-4-7-10-13-16-18-20-22-25-28-31-34-43(48)50-37-41(51-44(49)35-32-29-26-23-21-19-17-14-11-8-5-2)39-52-38-40(36-46)45-42(47)33-30-27-24-15-12-9-6-3/h40-41,46H,4-39H2,1-3H3,(H,45,47)/t40-,41-/m1/s1
定義日:2017-12-07
最終更新日:2024-09-27
公開日:2018-05-09
識別子（ID）:(2R)-3-{[(2R)-2-(decanoylamino)-3-hydroxypropyl]sulfanyl}propane-1,2-diyl ditetradecanoate
E8E
E8E
表記:(2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide
組成式:C30 H38 N4 O5
SMILES:CC(C)C[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)C(=O)NCc3ccccc3
InChi:InChI=1S/C30H38N4O5/c1-20(2)17-25(33-26(35)14-13-21-9-5-3-6-10-21)29(38)34-24(18-23-15-16-31-28(23)37)27(36)30(39)32-19-22-11-7-4-8-12-22/h3-14,20,23-25,27,36H,15-19H2,1-2H3,(H,31,37)(H,32,39)(H,33,35)(H,34,38)/b14-13+/t23-,24-,25-,27+/m0/s1
定義日:2018-03-01
最終更新日:2024-09-27
公開日:2019-03-20
識別子（ID）:(2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide
E8N
E8N
表記:1-ethyl-1-methyl-cyclohexane
組成式:C9 H18
SMILES:CCC1(C)CCCCC1
InChi:InChI=1S/C9H18/c1-3-9(2)7-5-4-6-8-9/h3-8H2,1-2H3
定義日:2018-03-04
最終更新日:2024-09-27
公開日:2019-03-20
識別子（ID）:1-ethyl-1-methyl-cyclohexane
E8U
E8U
表記:(4R)-4-oxidanyl-2-oxidanylidene-heptanedioic acid
組成式:C7 H10 O6
SMILES:O=C(C(=O)O)CC(O)CCC(=O)O
InChi:InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)/t4-/m1/s1
定義日:2012-08-07
最終更新日:2024-09-27
公開日:2012-08-24
識別子（ID）:(4R)-4-hydroxy-2-oxoheptanedioic acid
E8Y
E8Y
表記:4-[3-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile
組成式:C16 H12 F3 N3
SMILES:FC(F)(F)c1cc(ccc1)Nc1cccc2CN(Cc21)C#N
InChi:InChI=1S/C16H12F3N3/c17-16(18,19)12-4-2-5-13(7-12)21-15-6-1-3-11-8-22(10-20)9-14(11)15/h1-7,21H,8-9H2
定義日:2021-12-06
最終更新日:2024-09-27
公開日:2023-06-14
識別子（ID）:4-[3-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile
E95
E95
表記:7-Methyl-L-Tryptophan
組成式:C12 H14 N2 O2
SMILES:Cc1cccc2c(C[CH](N)C(O)=O)c[nH]c12
InChi:InChI=1S/C12H14N2O2/c1-7-3-2-4-9-8(6-14-11(7)9)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1
定義日:2018-03-06
最終更新日:2024-09-27
公開日:2019-02-13
識別子（ID）:(2~{S})-2-azanyl-3-(7-methyl-1~{H}-indol-3-yl)propanoic acid
E9C
E9C
表記:(2S)-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid
組成式:C9 H9 N O5
SMILES:N[CH](CC1=CC(=O)C(=O)C(C1=O)([2H])[2H])C(O)=O
InChi:InChI=1S/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2,5H,1,3,10H2,(H,14,15)/t5-/m0/s1/i3D2
定義日:2019-11-22
最終更新日:2024-09-27
公開日:2020-04-29
識別子（ID）:(2~{S})-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid
E9H
E9H
表記:hexadecyl dihydrogen phosphate
組成式:C16 H35 O4 P
SMILES:CCCCCCCCCCCCCCCCO[P](O)(O)=O
InChi:InChI=1S/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H2,17,18,19)
定義日:2018-03-06
最終更新日:2024-09-27
公開日:2018-10-24
識別子（ID）:hexadecyl dihydrogen phosphate
E9M
E9M
表記:N-methyl-L-tryptophan
組成式:C12 H14 N2 O2
SMILES:N(C)C(Cc1cnc2c1cccc2)C(=O)O
InChi:InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1
定義日:2017-12-14
最終更新日:2024-09-27
公開日:2018-12-19
識別子（ID）:N-methyl-L-tryptophan

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件を2025-01-15に公開中

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