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30U
30U
表記:4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
組成式:C15 H14 N4 O4 S
SMILES:O=S(=O)(O)c1ccc(cc1)COc3c2c(nc(nc2N)N)ccc3
InChi:InChI=1S/C15H14N4O4S/c16-14-13-11(18-15(17)19-14)2-1-3-12(13)23-8-9-4-6-10(7-5-9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)
定義日:2014-05-15
最終更新日:2024-09-27
公開日:2015-05-20
識別子（ID）:4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
30V
30V
表記:S-[(2-carbamoylphenyl)selanyl]-L-cysteine
組成式:C10 H12 N2 O3 S Se
SMILES:O=C(O)C(N)CS[Se]c1ccccc1C(=O)N
InChi:InChI=1S/C10H12N2O3SSe/c11-7(10(14)15)5-16-17-8-4-2-1-3-6(8)9(12)13/h1-4,7H,5,11H2,(H2,12,13)(H,14,15)/t7-/m0/s1
定義日:2014-05-15
最終更新日:2024-09-27
公開日:2014-07-08
識別子（ID）:S-[(2-carbamoylphenyl)selanyl]-L-cysteine
30W
30W
表記:N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide
組成式:C9 H7 N5 O3
SMILES:O=C(NC2=Nc1ncc(nc1C(=O)N2)C=O)C
InChi:InChI=1S/C9H7N5O3/c1-4(16)11-9-13-7-6(8(17)14-9)12-5(3-15)2-10-7/h2-3H,1H3,(H2,10,11,13,14,16,17)
別名:Acetyl 6-formylpterin
定義日:2014-05-16
最終更新日:2024-09-27
公開日:2014-07-02
識別子（ID）:N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide
H5M
H5M
表記:TRANS-3-HYDROXY-5-METHYLPROLINE
組成式:C6 H11 N O3
SMILES:O=C(O)C1NC(C)CC1O
InChi:InChI=1S/C6H11NO3/c1-3-2-4(8)5(7-3)6(9)10/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4-,5-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(3S,5S)-3-hydroxy-5-methyl-L-proline
H5X
H5X
表記:3-[[5-(cyclopenten-1-yl)-2-methoxycarbonyl-phenyl]sulfamoyl]benzenesulfonic acid
組成式:C19 H19 N O7 S2
SMILES:COC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3
InChi:InChI=1S/C19H19NO7S2/c1-27-19(21)17-10-9-14(13-5-2-3-6-13)11-18(17)20-28(22,23)15-7-4-8-16(12-15)29(24,25)26/h4-5,7-12,20H,2-3,6H2,1H3,(H,24,25,26)
定義日:2022-05-20
最終更新日:2024-09-27
公開日:2023-09-27
識別子（ID）:3-[[5-(cyclopenten-1-yl)-2-methoxycarbonyl-phenyl]sulfamoyl]benzenesulfonic acid
H60
H60
表記:(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide
組成式:C23 H31 N3 O4
SMILES:CCCC[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCCNC2=O)C=O
InChi:InChI=1S/C23H31N3O4/c1-2-3-11-20(26-21(28)13-12-17-8-5-4-6-9-17)23(30)25-19(16-27)15-18-10-7-14-24-22(18)29/h4-6,8-9,12-13,16,18-20H,2-3,7,10-11,14-15H2,1H3,(H,24,29)(H,25,30)(H,26,28)/b13-12+/t18-,19-,20-/m0/s1
定義日:2020-11-17
最終更新日:2024-09-27
公開日:2021-11-24
識別子（ID）:(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide
H62
H62
表記:(1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid
組成式:C7 H13 N O5
SMILES:N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1C(O)=O
InChi:InChI=1S/C7H13NO5/c8-2-1-3(9)5(10)6(11)4(2)7(12)13/h2-6,9-11H,1,8H2,(H,12,13)/t2-,3-,4+,5+,6+/m0/s1
定義日:2018-11-16
最終更新日:2024-09-27
公開日:2018-12-05
識別子（ID）:(1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid
31G
31G
表記:3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
組成式:C15 H14 N4 O4 S
SMILES:O=S(=O)(O)c1cccc(c1)COc3c2c(nc(nc2N)N)ccc3
InChi:InChI=1S/C15H14N4O4S/c16-14-13-11(18-15(17)19-14)5-2-6-12(13)23-8-9-3-1-4-10(7-9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)
定義日:2014-05-16
最終更新日:2024-09-27
公開日:2015-05-20
識別子（ID）:3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
H63
H63
表記:(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide
組成式:C22 H29 N3 O4
SMILES:CCCC[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)C=O
InChi:InChI=1S/C22H29N3O4/c1-2-3-9-19(25-20(27)11-10-16-7-5-4-6-8-16)22(29)24-18(15-26)14-17-12-13-23-21(17)28/h4-8,10-11,15,17-19H,2-3,9,12-14H2,1H3,(H,23,28)(H,24,29)(H,25,27)/b11-10+/t17-,18-,19-/m0/s1
定義日:2020-11-17
最終更新日:2024-09-27
公開日:2021-11-24
識別子（ID）:(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide
31J
31J
表記:7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one
組成式:C17 H22 O6
SMILES:O=C2Oc1c(c(O)c(OC)cc1C(=C2CCOCCOC)C)C
InChi:InChI=1S/C17H22O6/c1-10-12(5-6-22-8-7-20-3)17(19)23-16-11(2)15(18)14(21-4)9-13(10)16/h9,18H,5-8H2,1-4H3
定義日:2014-05-19
最終更新日:2024-09-27
公開日:2014-09-03
識別子（ID）:7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one
31K
31K
表記:2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol
組成式:C17 H19 N O3
SMILES:Oc3c(cc(c2ccc1c(OCCN1C)c2)cc3OC)C
InChi:InChI=1S/C17H19NO3/c1-11-8-13(10-16(20-3)17(11)19)12-4-5-14-15(9-12)21-7-6-18(14)2/h4-5,8-10,19H,6-7H2,1-3H3
定義日:2014-05-19
最終更新日:2024-09-27
公開日:2014-09-03
識別子（ID）:2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol
31L
31L
表記:3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol
組成式:C18 H21 N O3
SMILES:Oc1c(cc(cc1OC)c3ccc(N2CCOCC2)cc3)C
InChi:InChI=1S/C18H21NO3/c1-13-11-15(12-17(21-2)18(13)20)14-3-5-16(6-4-14)19-7-9-22-10-8-19/h3-6,11-12,20H,7-10H2,1-2H3
定義日:2014-05-19
最終更新日:2024-09-27
公開日:2014-09-03
識別子（ID）:3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol
31Q
31Q
表記:(4-carboxyphenyl)(L-cysteinato-kappaS~3~)mercury
組成式:C10 H11 Hg N O4 S
SMILES:O=C(O)C(N)CS[Hg]c1ccc(C(=O)O)cc1
InChi:InChI=1S/C7H5O2.C3H7NO2S.Hg/c8-7(9)6-4-2-1-3-5-6
定義日:2014-05-22
最終更新日:2024-09-27
公開日:2014-07-08
識別子（ID）:(4-carboxyphenyl)(L-cysteinato-kappaS~3~)mercury
H6F
H6F
表記:~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide
組成式:C30 H40 N4 O5
SMILES:CC(C)C[CH](NC(=O)[CH](NC(=O)c1ccc2ccccc2c1)C(C)C)C(=O)N[CH](C[CH]3CCCNC3=O)C=O
InChi:InChI=1S/C30H40N4O5/c1-18(2)14-25(29(38)32-24(17-35)16-22-10-7-13-31-27(22)36)33-30(39)26(19(3)4)34-28(37)23-12-11-20-8-5-6-9-21(20)15-23/h5-6,8-9,11-12,15,17-19,22,24-26H,7,10,13-14,16H2,1-4H3,(H,31,36)(H,32,38)(H,33,39)(H,34,37)/t22-,24-,25-,26-/m0/s1
定義日:2020-11-18
最終更新日:2024-09-27
公開日:2021-11-24
識別子（ID）:~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide
H6I
H6I
表記:4-(cyclopenten-1-yl)-2-[(3-sulfophenyl)sulfonylamino]benzoic acid
組成式:C18 H17 N O7 S2
SMILES:OC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3
InChi:InChI=1S/C18H17NO7S2/c20-18(21)16-9-8-13(12-4-1-2-5-12)10-17(16)19-27(22,23)14-6-3-7-15(11-14)28(24,25)26/h3-4,6-11,19H,1-2,5H2,(H,20,21)(H,24,25,26)
定義日:2022-05-20
最終更新日:2024-09-27
公開日:2023-09-27
識別子（ID）:4-(cyclopenten-1-yl)-2-[(3-sulfophenyl)sulfonylamino]benzoic acid
H6L
H6L
表記:~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide
組成式:C26 H37 N5 O7
SMILES:CC(C)C[CH](NC(=O)[CH](NC(=O)c1ccc(cc1)[N+]([O-])=O)C(C)C)C(=O)N[CH](C[CH]2CCCNC2=O)C=O
InChi:InChI=1S/C26H37N5O7/c1-15(2)12-21(25(35)28-19(14-32)13-18-6-5-11-27-23(18)33)29-26(36)22(16(3)4)30-24(34)17-7-9-20(10-8-17)31(37)38/h7-10,14-16,18-19,21-22H,5-6,11-13H2,1-4H3,(H,27,33)(H,28,35)(H,29,36)(H,30,34)/t18-,19-,21-,22-/m0/s1
定義日:2020-11-19
最終更新日:2024-09-27
公開日:2021-11-24
識別子（ID）:~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide
H6N
H6N
表記:Protocatechuic aldehyde
組成式:C7 H6 O3
SMILES:Oc1ccc(C=O)cc1O
InChi:InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
定義日:2018-11-18
最終更新日:2024-09-27
公開日:2019-11-27
識別子（ID）:3,4-bis(oxidanyl)benzaldehyde
H6R
H6R
表記:(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide
組成式:C21 H23 N3 O4
SMILES:O=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC#C)NC(=O)C=Cc2ccccc2
InChi:InChI=1S/C21H23N3O4/c1-2-6-18(24-19(26)10-9-15-7-4-3-5-8-15)21(28)23-17(14-25)13-16-11-12-22-20(16)27/h1,3-5,7-10,14,16-18H,6,11-13H2,(H,22,27)(H,23,28)(H,24,26)/b10-9+/t16-,17-,18-/m0/s1
定義日:2020-11-19
最終更新日:2024-09-27
公開日:2021-11-24
識別子（ID）:(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide
323
323
表記:2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate
組成式:C25 H22 N2 O4
SMILES:[O-]C(=O)c4cc(C=O)ccc4C=1c3c(OC=2C=1C=C/C(=[N+](/C)C)C=2)cc(cc3)N(C)C
InChi:InChI=1S/C25H22N2O4/c1-26(2)16-6-9-19-22(12-16)31-23-13-17(27(3)4)7-10-20(23)24(19)18-8-5-15(14-28)11-21(18)25(29)30/h5-14H,1-4H3
別名:5-Carboxy-N,N'-tetramethyl rhodamine
定義日:2008-06-30
最終更新日:2024-09-27
識別子（ID）:2-[6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl]-5-formylbenzoate
H74
H74
表記:2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
組成式:C25 H27 N3 O4 S
SMILES:[C@H](C(=O)Nc4cccc(C(c2cc1c(c(C(=O)O)ccn1)s2)OCCN3CCCCC3)c4)=C
InChi:InChI=1S/C25H27N3O4S/c1-2-22(29)27-18-8-6-7-17(15-18)23(32-14-13-28-11-4-3-5-12-28)21-16-20-24(33-21)19(25(30)31)9-10-26-20/h2,6-10,15-16,23H,1,3-5,11-14H2,(H,27,29)(H,30,31)/t23-/m1/s1
定義日:2018-06-11
最終更新日:2024-09-27
公開日:2018-11-21
識別子（ID）:2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
32L
32L
表記:ethyl (3S,4S)-4-amino-3-hydroxy-6-methylheptanoate
組成式:C10 H21 N O3
SMILES:O=C(OCC)CC(O)C(N)CC(C)C
InChi:InChI=1S/C10H21NO3/c1-4-14-10(13)6-9(12)8(11)5-7(2)3/h7-9,12H,4-6,11H2,1-3H3/t8-,9-/m0/s1
定義日:2014-05-27
最終更新日:2024-09-27
公開日:2014-06-04
識別子（ID）:ethyl (3S,4S)-4-amino-3-hydroxy-6-methylheptanoate
32S
32S
表記:(S)-2-AMINO-3-(4H-SELENOLO[3,2-B]-PYRROL-6-YL)-PROPIONIC ACID
組成式:C9 H10 N2 O2 Se
SMILES:O=C(O)C(N)Cc2c1[se]ccc1nc2
InChi:InChI=1S/C9H10N2O2Se/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1
定義日:2003-12-30
最終更新日:2024-09-27
識別子（ID）:3-(4H-selenopheno[3,2-b]pyrrol-6-yl)-L-alanine
H7I
H7I
表記:(4~{S})-5-[(2~{S})-2-(2-azanyl-2-oxidanylidene-ethyl)pyrrolidin-1-yl]-4-(methylamino)-5-oxidanylidene-pentanoic acid
組成式:C12 H21 N3 O4
SMILES:CN[CH](CCC(O)=O)C(=O)N1CCC[CH]1CC(N)=O
InChi:InChI=1S/C12H21N3O4/c1-14-9(4-5-11(17)18)12(19)15-6-2-3-8(15)7-10(13)16/h8-9,14H,2-7H2,1H3,(H2,13,16)(H,17,18)/t8-,9-/m0/s1
定義日:2022-05-20
最終更新日:2024-09-27
公開日:2022-06-29
識別子（ID）:(4~{S})-5-[(2~{S})-2-(2-azanyl-2-oxidanylidene-ethyl)pyrrolidin-1-yl]-4-(methylamino)-5-oxidanylidene-pentanoic acid
32T
32T
表記:(S)-2-AMINO-3-(4H-THIENO[3,2-B]-PYRROL-6-YL)-PROPIONIC ACID
組成式:C9 H10 N2 O2 S
SMILES:O=C(O)C(N)Cc2c1sccc1nc2
InChi:InChI=1S/C9H10N2O2S/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1
定義日:2003-12-30
最終更新日:2024-09-27
識別子（ID）:3-(4H-thieno[3,2-b]pyrrol-6-yl)-L-alanine
H7J
H7J
表記:N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE
組成式:C21 H28 N4 O2
SMILES:O=C(C(n1nnc(c1)C(NC(=O)c2ccccc2)(C)C(C)C)C/C=C/C)C
InChi:InChI=1S/C21H28N4O2/c1-6-7-13-18(16(4)26)25-14-19(23-24-25)21(5,15(2)3)22-20(27)17-11-9-8-10-12-17/h6-12,14-15,18H,13H2,1-5H3,(H,22,27)/b7-6+/t18-,21+/m1/s1
定義日:2006-06-12
最終更新日:2024-09-27
識別子（ID）:N-[(1S)-1-{1-[(1R,3E)-1-acetylpent-3-en-1-yl]-1H-1,2,3-triazol-4-yl}-1,2-dimethylpropyl]benzamide

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