Chemie search results(化合物の検索結果)

簡易検索:
    化合物検索へ
    O O OH
    000
    表記:methyl hydrogen carbonate
    組成式:C2 H4 O3
    SMILES:O=C(O)OC
    InChi:InChI=1S/C2H4O3/c1-5-2(3)4/h1H3,(H,3,4)
    定義日:2010-04-27
    最終更新日:2011-06-04
    識別子(ID):methyl hydrogen carbonate
    O O O F F O N O O N
    001
    表記:1-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY-PHENYL)-ACETYL]-PIPERIDINE-2-CARBOXYLIC ACID 4-PHENYL-1-(3-PYRIDIN-3-YL-PROPYL)-BUTYL ESTER
    組成式:C35 H42 F2 N2 O6
    SMILES:O=C(N3C(C(=O)OC(CCCc1ccccc1)CCCc2cccnc2)CCCC3)C(F)(F)c4cc(OC)c(OC)c(OC)c4
    InChi:InChI=1S/C35H42F2N2O6/c1-42-30-22-27(23-31(43-2)32(30)44-3)35(36,37)34(41)39-21-8-7-19-29(39)33(40)45-28(17-9-14-25-12-5-4-6-13-25)18-10-15-26-16-11-20-38-24-26/h4-6,11-13,16,20,22-24,28-29H,7-10,14-15,17-19,21H2,1-3H3/t28-,29-/m0/s1
    別名:FKB-001
    定義日:2001-11-06
    最終更新日:2011-06-04
    識別子(ID):(1S)-4-phenyl-1-(3-pyridin-3-ylpropyl)butyl (2S)-1-[difluoro(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
    HN O O HO N H O O N H OH
    002
    表記:N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE
    組成式:C23 H35 N3 O6
    SMILES:O=C(O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)CC(=O)NO)C(C)CC)CC(C)C
    InChi:InChI=1S/C23H35N3O6/c1-5-15(4)20(22(29)24-18(23(30)31)11-14(2)3)25-21(28)17(13-19(27)26-32)12-16-9-7-6-8-10-16/h6-10,14-15,17-18,20,32H,5,11-13H2,1-4H3,(H,24,29)(H,25,28)(H,26,27)(H,30,31)/t15-,17+,18-,20-/m0/s1
    定義日:2006-02-02
    最終更新日:2011-06-04
    識別子(ID):N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-isoleucyl-L-leucine
    O N N N N O N
    003
    表記:5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETHYL)-3-PYRIDIN-4-YL-2H-PYRAZOLO[3,4-D]PYRIMIDINE-4,6(5H,7H)-DIONE
    組成式:C26 H25 N5 O2
    SMILES:O=C3c2c(c1ccncc1)n(nc2N(C(=O)N3C)CC(C)C)Cc5c4ccccc4ccc5
    InChi:InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3
    定義日:2007-02-06
    最終更新日:2011-06-04
    識別子(ID):5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
    NH 2 O OH
    004
    表記:(2S)-amino(phenyl)ethanoic acid
    組成式:C8 H9 N O2
    SMILES:O=C(O)C(N)c1ccccc1
    InChi:InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m0/s1
    別名:L-Phenylglycine
    定義日:2010-04-27
    最終更新日:2011-06-04
    識別子(ID):(2S)-amino(phenyl)ethanoic acid
    H 2 N O OH OH
    005
    表記:(2S,3S)-3-amino-2-hydroxy-4-phenylbutanoic acid
    組成式:C10 H13 N O3
    SMILES:O=C(O)C(O)C(N)Cc1ccccc1
    InChi:InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9-/m0/s1
    定義日:2010-04-27
    最終更新日:2011-06-04
    識別子(ID):(2S,3S)-3-amino-2-hydroxy-4-phenylbutanoic acid
    HN OH O NH HO O O N O S
    006
    表記:(4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
    組成式:C35 H41 N3 O6 S
    SMILES:O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O)C(NC(=O)COc3c(cccc3C)C)Cc4ccccc4)CSC5(C)C
    InChi:InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32+/m0/s1
    別名:KNI-10006
    定義日:2008-07-03
    最終更新日:2011-06-04
    識別子(ID):(4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
    NH 2
    007
    表記:1-METHYLAMINE-1-BENZYL-CYCLOPENTANE
    組成式:C12 H17 N
    SMILES:c1c(cccc1)C2(CN)CCCC2
    InChi:InChI=1S/C12H17N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2
    別名:1-(1-PHENYLCYCLOPENTYL)METHANAMINE
    定義日:2005-06-09
    最終更新日:2011-06-04
    識別子(ID):1-(1-phenylcyclopentyl)methanamine
    F NH 2 O N O NH 2
    008
    表記:(S)-2-[(R)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
    組成式:C20 H22 F N3 O2
    SMILES:Fc1ccccc1CC(N)CC(=O)N3C(C(=O)N)Cc2c(cccc2)C3
    InChi:InChI=1S/C20H22FN3O2/c21-17-8-4-3-6-14(17)9-16(22)11-19(25)24-12-15-7-2-1-5-13(15)10-18(24)20(23)26/h1-8,16,18H,9-12,22H2,(H2,23,26)/t16-,18+/m1/s1
    定義日:2005-06-09
    最終更新日:2011-06-04
    識別子(ID):(3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
    O N H HO HN N N H O N
    009
    表記:(4S)-1,4-dibenzyl-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide
    組成式:C37 H43 N5 O3
    SMILES:O=C4N(Cc1ccccc1)CC(C(=O)NC(Cc2ccccc2)C(O)CNCc3cccc(N(C)C)c3)(N4)Cc5ccccc5
    InChi:InChI=1S/C37H43N5O3/c1-41(2)32-20-12-19-31(21-32)24-38-25-34(43)33(22-28-13-6-3-7-14-28)39-35(44)37(23-29-15-8-4-9-16-29)27-42(36(45)40-37)26-30-17-10-5-11-18-30/h3-21,33-34,38,43H,22-27H2,1-2H3,(H,39,44)(H,40,45)/t33-,34+,37-/m0/s1
    定義日:2008-03-17
    最終更新日:2011-06-04
    識別子(ID):(4S)-1,4-dibenzyl-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide
    OH P O O Cl O O OH HO O N N H 2 N N N
    00A
    表記:5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine
    組成式:C17 H17 Cl N5 O8 P
    SMILES:Clc1ccc(cc1)C(=O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O
    InChi:InChI=1S/C17H17ClN5O8P/c18-9-3-1-8(2-4-9)17(26)31-32(27,28)29-5-10-12(24)13(25)16(30-10)23-7-22-11-14(19)20-6-21-15(11)23/h1-4,6-7,10,12-13,16,24-25H,5H2,(H,27,28)(H2,19,20,21)/t10-,12-,13-,16-/m1/s1
    定義日:2008-04-28
    最終更新日:2011-06-04
    識別子(ID):5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine
    HN O S OH
    00B
    表記:(4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
    組成式:C6 H11 N O2 S
    SMILES:O=C(O)C1NCSC1(C)C
    InChi:InChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)7-3-10-6/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m1/s1
    定義日:2010-04-27
    最終更新日:2011-06-04
    識別子(ID):(4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
    NH 2 O S O O HO OH
    00C
    表記:3-sulfo-D-alanine
    組成式:C3 H7 N O5 S
    SMILES:O=C(O)C(N)CS(=O)(=O)O
    InChi:InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m1/s1
    別名:D-Cysteine sulfinic acid
    定義日:2008-12-24
    最終更新日:2011-06-04
    識別子(ID):3-sulfo-D-alanine
    H 2 N
    00D
    表記:(2R)-3,3-dimethylbutan-2-amine
    組成式:C6 H15 N
    SMILES:NC(C)C(C)(C)C
    InChi:InChI=1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3/t5-/m1/s1
    定義日:2010-04-27
    最終更新日:2012-01-13
    識別子(ID):(2R)-3,3-dimethylbutan-2-amine
    O N O HO
    00E
    表記:morpholin-4-ylacetic acid
    組成式:C6 H11 N O3
    SMILES:O=C(O)CN1CCOCC1
    InChi:InChI=1S/C6H11NO3/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)
    定義日:2010-04-27
    最終更新日:2012-01-13
    識別子(ID):morpholin-4-ylacetic acid
    NH 2 P HO O O OH
    00F
    表記:(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
    組成式:C12 H18 N O4 P
    SMILES:O=C(O)C(C)CP(=O)(O)C(N)Cc1ccccc1
    InChi:InChI=1S/C12H18NO4P/c1-9(12(14)15)8-18(16,17)11(13)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3,(H,14,15)(H,16,17)/t9-,11-/m1/s1
    定義日:2010-08-16
    最終更新日:2012-01-13
    識別子(ID):(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
    N O HN
    00G
    表記:5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole
    組成式:C14 H14 N2 O
    SMILES:O(c1cc2c(cc1)ncc2)CCn3cccc3
    InChi:InChI=1S/C14H14N2O/c1-2-8-16(7-1)9-10-17-13-3-4-14-12(11-13)5-6-15-14/h1-8,11,15H,9-10H2
    定義日:2009-01-20
    最終更新日:2011-06-04
    識別子(ID):5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole
    NH 2 P HO O O OH
    00H
    表記:3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid
    組成式:C11 H16 N O4 P
    SMILES:O=C(O)CCP(=O)(O)C(N)Cc1ccccc1
    InChi:InChI=1S/C11H16NO4P/c12-10(8-9-4-2-1-3-5-9)17(15,16)7-6-11(13)14/h1-5,10H,6-8,12H2,(H,13,14)(H,15,16)/t10-/m1/s1
    定義日:2010-08-21
    最終更新日:2012-01-13
    識別子(ID):3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid
    HN O S NH O N O O O NH H 2 N HO
    00I
    表記:N-[(1R)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-N~2~-(naphthalen-2-ylsulfonyl)-L-alpha-glutamine
    組成式:C30 H35 N5 O6 S
    SMILES:O=C(N1CCCCC1)C(NC(=O)C(NS(=O)(=O)c3cc2ccccc2cc3)CCC(=O)O)Cc4ccc(C(=[N@H])N)cc4
    InChi:InChI=1S/C30H35N5O6S/c31-28(32)22-10-8-20(9-11-22)18-26(30(39)35-16-4-1-5-17-35)33-29(38)25(14-15-27(36)37)34-42(40,41)24-13-12-21-6-2-3-7-23(21)19-24/h2-3,6-13,19,25-26,34H,1,4-5,14-18H2,(H3,31,32)(H,33,38)(H,36,37)/t25-,26+/m0/s1
    定義日:2010-10-19
    最終更新日:2011-07-13
    識別子(ID):N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-N~2~-(naphthalen-2-ylsulfonyl)-L-alpha-glutamine
    O HN O O N O N O
    00J
    表記:N,2-DIMETHYL-6-{[7-(2-MORPHOLIN-4-YLETHOXY)QUINOLIN-4-YL]OXY}-1-BENZOFURAN-3-CARBOXAMIDE
    組成式:C26 H27 N3 O5
    SMILES:O=C(NC)c4c5ccc(Oc3ccnc2cc(OCCN1CCOCC1)ccc23)cc5oc4C
    InChi:InChI=1S/C26H27N3O5/c1-17-25(26(30)27-2)21-6-4-19(16-24(21)33-17)34-23-7-8-28-22-15-18(3-5-20(22)23)32-14-11-29-9-12-31-13-10-29/h3-8,15-16H,9-14H2,1-2H3,(H,27,30)
    別名:PF-00337210
    定義日:2010-06-30
    最終更新日:2011-06-04
    識別子(ID):N,2-dimethyl-6-{[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy}-1-benzofuran-3-carboxamide
    N O N O H 2 N N H HO O H 2 N N H
    00K
    表記:(1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide
    組成式:C28 H44 N6 O4
    SMILES:O=C(NC1CCCCC1)C(O)C(NC(=O)C3N2C(=O)C(N)(CCN2CC3)Cc4ccccc4)CCCCN
    InChi:InChI=1S/C28H44N6O4/c29-16-8-7-13-22(24(35)26(37)31-21-11-5-2-6-12-21)32-25(36)23-14-17-33-18-15-28(30,27(38)34(23)33)19-20-9-3-1-4-10-20/h1,3-4,9-10,21-24,35H,2,5-8,11-19,29-30H2,(H,31,37)(H,32,36)/t22-,23-,24-,28+/m0/s1
    別名:MOL-106
    定義日:2010-10-27
    最終更新日:2011-07-13
    識別子(ID):(1S,7S)-7-amino-N-[(2S,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide
    N O N O H 2 N HN HO NH O HN H 2 N N H
    00L
    表記:(1S,7S)-7-amino-7-benzyl-N-[(1S)-4-carbamimidamido-1-{(1S)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide
    組成式:C30 H42 N8 O4
    SMILES:O=C(NCCc1ccccc1)C(O)C(NC(=O)C3N2C(=O)C(N)(CCN2CC3)Cc4ccccc4)CCCNC(=[N@H])N
    InChi:InChI=1S/C30H42N8O4/c31-29(32)35-16-7-12-23(25(39)27(41)34-17-13-21-8-3-1-4-9-21)36-26(40)24-14-18-37-19-15-30(33,28(42)38(24)37)20-22-10-5-2-6-11-22/h1-6,8-11,23-25,39H,7,12-20,33H2,(H,34,41)(H,36,40)(H4,31,32,35)/t23-,24-,25-,30+/m0/s1
    別名:MOL-126
    定義日:2010-10-28
    最終更新日:2012-01-05
    識別子(ID):(1S,7S)-7-amino-7-benzyl-N-{(2S,3S)-6-carbamimidamido-2-hydroxy-1-oxo-1-[(2-phenylethyl)amino]hexan-3-yl}-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide
    H 2 N OH O HO
    00M
    表記:(2R,3S)-3-amino-2-hydroxy-4-phenylbutanoic acid
    組成式:C10 H13 N O3
    SMILES:O=C(O)C(O)C(N)Cc1ccccc1
    InChi:InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9+/m0/s1
    定義日:2010-07-16
    最終更新日:2012-01-13
    識別子(ID):(2R,3S)-3-amino-2-hydroxy-4-phenylbutanoic acid
    N O N O H 2 N N H OH N H N S NH NH 2
    00N
    表記:(1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide
    組成式:C24 H34 N8 O3 S
    SMILES:O=C3N1N(CCC1C(=O)NC(C(O)c2nccs2)CCCNC(=[N@H])N)CCC3(N)Cc4ccccc4
    InChi:InChI=1S/C24H34N8O3S/c25-23(26)29-10-4-7-17(19(33)21-28-11-14-36-21)30-20(34)18-8-12-31-13-9-24(27,22(35)32(18)31)15-16-5-2-1-3-6-16/h1-3,5-6,11,14,17-19,33H,4,7-10,12-13,15,27H2,(H,30,34)(H4,25,26,29)/t17-,18-,19-,24+/m0/s1
    別名:MOL-127
    定義日:2010-10-28
    最終更新日:2011-07-13
    識別子(ID):(1S,7S)-7-amino-7-benzyl-N-[(1S,2S)-5-carbamimidamido-1-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-yl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide
    O H 2 N OH
    00O
    表記:beta-phenyl-D-phenylalanine
    組成式:C15 H15 N O2
    SMILES:O=C(O)C(N)C(c1ccccc1)c2ccccc2
    InChi:InChI=1S/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)/t14-/m1/s1
    定義日:2010-11-12
    最終更新日:2012-01-13
    識別子(ID):beta-phenyl-D-phenylalanine
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