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73P
73P
表記:(2~{S})-6-azanyl-2-(carboxyamino)hexanoic acid
組成式:C7 H14 N2 O4
SMILES:NCCCC[CH](NC(O)=O)C(O)=O
InChi:InChI=1S/C7H14N2O4/c8-4-2-1-3-5(6(10)11)9-7(12)13/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1
定義日:2016-08-19
最終更新日:2024-09-27
公開日:2016-09-21
識別子（ID）:(2~{S})-6-azanyl-2-(carboxyamino)hexanoic acid
B2N
B2N
表記:(2S)-4-amino-2-(aminomethyl)-4-oxobutanoic acid
組成式:C5 H10 N2 O3
SMILES:O=C(N)CC(CN)C(=O)O
InChi:InChI=1S/C5H10N2O3/c6-2-3(5(9)10)1-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
定義日:2016-01-22
最終更新日:2024-09-27
公開日:2016-02-24
識別子（ID）:(2S)-4-amino-2-(aminomethyl)-4-oxobutanoic acid
73V
73V
表記:BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE
組成式:C25 H35 N3 O6
SMILES:O=C(NC(C(=O)N2C(C(=O)OCc1ccccc1)CCC2)C(C)CC)C3OC3C(=O)NCCC
InChi:InChI=1S/C25H35N3O6/c1-4-13-26-22(29)20-21(34-20)23(30)27-19(16(3)5-2)24(31)28-14-9-12-18(28)25(32)33-15-17-10-7-6-8-11-17/h6-8,10-11,16,18-21H,4-5,9,12-15H2,1-3H3,(H,26,29)(H,27,30)/t16-,18-,19-,20-,21-/m0/s1
別名:CA073
定義日:2006-01-04
最終更新日:2024-09-27
識別子（ID）:benzyl N-{[(2S,3S)-3-(propylcarbamoyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-prolinate
B2V
B2V
表記:VALINE BORONIC ACID
組成式:C4 H12 B N O2
SMILES:OB(O)C(N)C(C)C
InChi:InChI=1S/C4H12BNO2/c1-3(2)4(6)5(7)8/h3-4,7-8H,6H2,1-2H3/t4-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:[(1R)-1-amino-2-methylpropyl]boronic acid
B39
B39
表記:[(1S,2S,4R)-4-{4-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl]methyl sulfamate
組成式:C21 H25 N5 O4 S
SMILES:O=S(=O)(OCC5CC(n2c1ncnc(c1cc2)NC4c3ccccc3CC4)CC5O)N
InChi:InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1
定義日:2009-04-17
最終更新日:2024-09-27
識別子（ID）:[(1S,2S,4R)-4-{4-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl]methyl sulfamate
B3A
B3A
表記:(3S)-3-AMINOBUTANOIC ACID
組成式:C4 H9 N O2
SMILES:O=C(O)CC(N)C
InChi:InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
定義日:2007-02-28
最終更新日:2024-09-27
識別子（ID）:(3S)-3-aminobutanoic acid
B3D
B3D
表記:3-AMINOPENTANEDIOIC ACID
組成式:C5 H9 N O4
SMILES:O=C(O)CC(N)CC(=O)O
InChi:InChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)
別名:BETA-HOMOASPARTATE
定義日:2007-02-28
最終更新日:2024-09-27
識別子（ID）:3-aminopentanedioic acid
B3E
B3E
表記:(3S)-3-AMINOHEXANEDIOIC ACID
組成式:C6 H11 N O4
SMILES:O=C(O)CCC(N)CC(=O)O
InChi:InChI=1S/C6H11NO4/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
定義日:2007-02-28
最終更新日:2024-09-27
識別子（ID）:(3S)-3-aminohexanedioic acid
B3G
B3G
表記:(1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C22 H32 Cl N3 O8 S
SMILES:C1(=O)NCCC1CC(NC(C(NC(=O)OCCc2cccc(c2)Cl)CC(C)C)=O)C(O)S(=O)(O)=O
InChi:InChI=1S/C22H32ClN3O8S/c1-13(2)10-17(26-22(30)34-9-7-14-4-3-5-16(23)11-14)20(28)25-18(21(29)35(31,32)33)12-15-6-8-24-19(15)27/h3-5,11,13,15,17-18,21,29H,6-10,12H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t15-,17-,18-,21+/m0/s1
定義日:2017-07-31
最終更新日:2024-09-27
公開日:2018-04-04
識別子（ID）:(1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
B3J
B3J
表記:(1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C31 H48 N4 O10 S
SMILES:C(CC1CCNC1=O)(C(O)S(=O)(O)=O)NC(C(CC(C)C)NC(=O)OC3(Cc2ccccc2)CCN(CC3)C(OC(C)(C)C)=O)=O
InChi:InChI=1S/C31H48N4O10S/c1-20(2)17-23(26(37)33-24(27(38)46(41,42)43)18-22-11-14-32-25(22)36)34-28(39)44-31(19-21-9-7-6-8-10-21)12-15-35(16-13-31)29(40)45-30(3,4)5/h6-10,20,22-24,27,38H,11-19H2,1-5H3,(H,32,36)(H,33,37)(H,34,39)(H,41,42,43)/t22-,23-,24-,27-/m0/s1
定義日:2017-07-31
最終更新日:2024-09-27
公開日:2018-04-04
識別子（ID）:(1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
B3K
B3K
表記:(3S)-3,7-DIAMINOHEPTANOIC ACID
組成式:C7 H16 N2 O2
SMILES:O=C(O)CC(N)CCCCN
InChi:InChI=1S/C7H16N2O2/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H,10,11)/t6-/m0/s1
定義日:2007-02-28
最終更新日:2024-09-27
識別子（ID）:(3S)-3,7-diaminoheptanoic acid
B3L
B3L
表記:(3S)-3-amino-5-methylhexanoic acid
組成式:C7 H15 N O2
SMILES:O=C(O)CC(N)CC(C)C
InChi:InChI=1S/C7H15NO2/c1-5(2)3-6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1
別名:(S)-beta-3-homoleucine
定義日:2008-02-05
最終更新日:2024-09-27
識別子（ID）:(3S)-3-amino-5-methylhexanoic acid
B3M
B3M
表記:(3R)-3-amino-5-(methylsulfanyl)pentanoic acid
組成式:C6 H13 N O2 S
SMILES:O=C(O)CC(N)CCSC
InChi:InChI=1S/C6H13NO2S/c1-10-3-2-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
定義日:2008-11-19
最終更新日:2024-09-27
識別子（ID）:(3R)-3-amino-5-(methylsulfanyl)pentanoic acid
1W4
1W4
表記:S-(4-fluorophenyl) 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate
組成式:C25 H24 F N O2 S
SMILES:O=C(Sc1ccc(F)cc1)c3cc(C=Cc2cc(c(O)c(c2)C)C)cc(N(C)C)c3
InChi:InChI=1S/C25H24FNO2S/c1-16-11-18(12-17(2)24(16)28)5-6-19-13-20(15-22(14-19)27(3)4)25(29)30-23-9-7-21(26)8-10-23/h5-15,28H,1-4H3/b6-5+
定義日:2013-06-27
最終更新日:2024-09-27
公開日:2013-10-02
識別子（ID）:S-(4-fluorophenyl) 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate
B3Q
B3Q
表記:(3S)-3,6-diamino-6-oxohexanoic acid
組成式:C6 H12 N2 O3
SMILES:O=C(N)CCC(N)CC(=O)O
InChi:InChI=1S/C6H12N2O3/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1
別名:(S)-beta-3-homoglutamine
定義日:2008-02-05
最終更新日:2024-09-27
識別子（ID）:(3S)-3,6-diamino-6-oxohexanoic acid
1WD
1WD
表記:3-sulfanylpyridine-2-carboxylic acid
組成式:C6 H5 N O2 S
SMILES:O=C(O)c1ncccc1S
InChi:InChI=1S/C6H5NO2S/c8-6(9)5-4(10)2-1-3-7-5/h1-3,10H,(H,8,9)
定義日:2013-07-03
最終更新日:2024-09-27
公開日:2015-09-23
識別子（ID）:3-sulfanylpyridine-2-carboxylic acid
OG9
OG9
表記:(pyren-1-yl)acetic acid
組成式:C18 H12 O2
SMILES:O=C(O)Cc1ccc2ccc3cccc4ccc1c2c34
InChi:InChI=1S/C18H12O2/c19-16(20)10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)18(13)17(11)12/h1-9H,10H2,(H,19,20)
定義日:2022-04-29
最終更新日:2024-09-27
公開日:2023-05-10
識別子（ID）:(pyren-1-yl)acetic acid
OGC
OGC
表記:gamma-N-methyl-beta-OH-histidine
組成式:C7 H11 N3 O3
SMILES:Cn1cncc1[CH](O)[CH](N)C(O)=O
InChi:InChI=1S/C7H11N3O3/c1-10-3-9-2-4(10)6(11)5(8)7(12)13/h2-3,5-6,11H,8H2,1H3,(H,12,13)/t5-,6-/m1/s1
別名:(2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid
定義日:2022-09-07
最終更新日:2024-09-27
公開日:2023-08-16
識別子（ID）:(2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid
OGQ
OGQ
表記:[9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
組成式:C33 H32 N3 O4
SMILES:CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCc5ccc(C)cc5)=[N+](C)C)c1
InChi:InChI=1S/C33H31N3O4/c1-20-6-8-21(9-7-20)19-34-32(37)22-10-13-25(33(38)39)28(16-22)31-26-14-11-23(35(2)3)17-29(26)40-30-18-24(36(4)5)12-15-27(30)31/h6-18H,19H2,1-5H3,(H-,34,37,38,39)/p+1
定義日:2020-03-06
最終更新日:2024-09-27
公開日:2021-03-31
識別子（ID）:[9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
1WZ
1WZ
表記:3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid
組成式:C19 H21 N O3
SMILES:O=C(O)c1cc(cc(N(C)C)c1)C=Cc2cc(c(O)c(c2)C)C
InChi:InChI=1S/C19H21NO3/c1-12-7-14(8-13(2)18(12)21)5-6-15-9-16(19(22)23)11-17(10-15)20(3)4/h5-11,21H,1-4H3,(H,22,23)/b6-5+
別名:(E)-3-(dimethylamino)-5-(4-hydroxy-3,5-dimethylstyryl)benzoic acid
定義日:2013-07-19
最終更新日:2024-09-27
公開日:2013-10-02
識別子（ID）:3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid
OGU
OGU
表記:2,3-diOH-butyric acid
組成式:C4 H8 O4
SMILES:C[CH](O)[CH](O)C(O)=O
InChi:InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m0/s1
別名:(2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid
定義日:2022-09-07
最終更新日:2024-09-27
公開日:2023-08-16
識別子（ID）:(2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid
OGX
OGX
表記:2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine
組成式:C12 H19 N6 O7 P S
SMILES:O=P(O)(OCC3OC(N2C(=O)NC1=C2N=C(N)NC1=O)CC3O)NCCS
InChi:InChI=1S/C12H19N6O7PS/c13-11-16-9-8(10(20)17-11)15-12(21)18(9)7-3-5(19)6(25-7)4-24-26(22,23)14-1-2-27/h5-7,19,27H,1-4H2,(H,15,21)(H2,14,22,23)(H3,13,16,17,20)/t5-,6+,7+/m0/s1
定義日:2009-09-10
最終更新日:2024-09-27
識別子（ID）:2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine
OGZ
OGZ
表記:[3-(trifluoromethyl)phenyl]methanamine
組成式:C8 H8 F3 N
SMILES:NCc1cccc(c1)C(F)(F)F
InChi:InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
定義日:2020-03-09
最終更新日:2024-09-27
公開日:2021-03-31
識別子（ID）:[3-(trifluoromethyl)phenyl]methanamine
OH0
OH0
表記:N-heptanoyl-N-hydroxy-beta-alanine
組成式:C10 H19 N O4
SMILES:O=C(O)CCN(O)C(=O)CCCCCC
InChi:InChI=1S/C10H19NO4/c1-2-3-4-5-6-9(12)11(15)8-7-10(13)14/h15H,2-8H2,1H3,(H,13,14)
定義日:2022-05-02
最終更新日:2024-09-27
公開日:2023-02-22
識別子（ID）:N-heptanoyl-N-hydroxy-beta-alanine
1X6
1X6
表記:O-[(2E)-3-AMINOPROP-2-ENOYL]-L-SERINE
組成式:C6 H10 N2 O4
SMILES:O=C(OCC(C(=O)O)N)C=CN
InChi:InChI=1S/C6H10N2O4/c7-2-1-5(9)12-3-4(8)6(10)11/h1-2,4H,3,7-8H2,(H,10,11)/b2-1+/t4-/m0/s1
定義日:2011-06-23
最終更新日:2024-09-27
識別子（ID）:O-[(2E)-3-aminoprop-2-enoyl]-L-serine

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