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HA2
HA2
Name:6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-6-OXOHEXANOIC ACID)
Formula:C22 H28 N2 O5
SMILES:O=C(O)CCCCC(=O)N(O)CC(N)Cc2ccc(OCc1ccccc1)cc2
InChi:InChI=1S/C22H28N2O5/c23-19(15-24(28)21(25)8-4-5-9-22(26)27)14-17-10-12-20(13-11-17)29-16-18-6-2-1-3-7-18/h1-3,6-7,10-13,19,28H,4-5,8-9,14-16,23H2,(H,26,27)/t19-/m0/s1
Definition date:2007-12-07
Last modified:2011-06-04
Identifier:6-[{(2S)-2-amino-3-[4-(benzyloxy)phenyl]propyl}(hydroxy)amino]-6-oxohexanoic acid
HA3
HA3
Name:N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide
Formula:C18 H16 N4 O3 S
SMILES:O=C(c1sc(C(=O)NO)cc1)N4Cc3ncc(c2ccccc2)n3CC4
InChi:InChI=1S/C18H16N4O3S/c23-17(20-25)14-6-7-15(26-14)18(24)21-8-9-22-13(10-19-16(22)11-21)12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H,20,23)
Definition date:2008-03-17
Last modified:2011-06-04
Identifier:N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide
24P
24P
Name:(2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine
Formula:C18 H21 N O
SMILES:O(c1ccc(cc1)Cc2ccccc2)CC3NCCC3
InChi:InChI=1S/C18H21NO/c1-2-5-15(6-3-1)13-16-8-10-18(11-9-16)20-14-17-7-4-12-19-17/h1-3,5-6,8-11,17,19H,4,7,12-14H2/t17-/m1/s1
Definition date:2008-12-11
Last modified:2011-06-04
Identifier:(2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine
24T
24T
Name:2-AMINO-4-METHYLTHIAZOLE
Formula:C4 H6 N2 S
SMILES:n1c(csc1N)C
InChi:InChI=1S/C4H6N2S/c1-3-2-7-4(5)6-3/h2H,1H3,(H2,5,6)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4-methyl-1,3-thiazol-2-amine
HA8
HA8
Name:N6-(buta-2,3-dienyl)adenine
Formula:C9 H9 N5
SMILES:n1c(N=CCC=C)c2c(nc1)ncn2
InChi:InChI=1S/C9H9N5/c1-2-3-4-10-8-7-9(12-5-11-7)14-6-13-8/h2,4-6H,1,3H2,(H,11,12,13,14)/b10-4+
Definition date:2008-02-20
Last modified:2011-06-04
Identifier:N-[(1E)-but-3-en-1-ylidene]-7H-purin-6-amine
HAB
HAB
Name:2-((4'-HYDROXYPHENYL)-AZO)BENZOIC ACID
Formula:C13 H10 N2 O3
SMILES:O=C(O)c2ccccc2/N=N/c1ccc(O)cc1
InChi:InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)/b15-14+
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2-[(E)-(4-hydroxyphenyl)diazenyl]benzoic acid
24X
24X
Name:2'-((5-CARBAMIMIDOYLPYRIDIN-2-YLAMINO)METHYL)-4-(ISOBUTYLCARBAMOYL)-4'-VINYLBIPHENYL-2-CARBOXYLIC ACID
Formula:C27 H29 N5 O3
SMILES:O=C(NCC(C)C)c1ccc(c(C(=O)O)c1)c2c(cc(C=C)cc2)CNc3ncc(cc3)C(=[N@H])N
InChi:InChI=1S/C27H29N5O3/c1-4-17-5-8-21(20(11-17)15-31-24-10-7-19(14-30-24)25(28)29)22-9-6-18(12-23(22)27(34)35)26(33)32-13-16(2)3/h4-12,14,16H,1,13,15H2,2-3H3,(H3,28,29)(H,30,31)(H,32,33)(H,34,35)
Definition date:2007-02-26
Last modified:2011-06-04
Identifier:2'-{[(5-carbamimidoylpyridin-2-yl)amino]methyl}-4'-ethenyl-4-[(2-methylpropyl)carbamoyl]biphenyl-2-carboxylic acid
250
250
Name:(2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
Formula:C9 H20 N2 O5 S
SMILES:O=S(=O)(O)CC(O)CN1CCN(CCO)CC1
InChi:InChI=1S/C9H20N2O5S/c12-6-5-10-1-3-11(4-2-10)7-9(13)8-17(14,15)16/h9,12-13H,1-8H2,(H,14,15,16)/t9-/m1/s1
Definition date:2007-09-17
Last modified:2011-06-04
Identifier:(2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
251
251
Name:N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide
Formula:C19 H18 N4 O
SMILES:O=C(NC(=[N@H])N)Cn2c(ccc2c1ccccc1)c3ccccc3
InChi:InChI=1S/C19H18N4O/c20-19(21)22-18(24)13-23-16(14-7-3-1-4-8-14)11-12-17(23)15-9-5-2-6-10-15/h1-12H,13H2,(H4,20,21,22,24)
Definition date:2007-09-11
Last modified:2011-06-04
Identifier:N-carbamimidoyl-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide
HAH
HAH
Name:(1S,2S,3R,6R)-6-[(2-hydroxybenzyl)amino]cyclohex-4-ene-1,2,3-triol
Formula:C13 H17 N O4
SMILES:OC2C(NCc1ccccc1O)C=CC(O)C2O
InChi:InChI=1S/C13H17NO4/c15-10-4-2-1-3-8(10)7-14-9-5-6-11(16)13(18)12(9)17/h1-6,9,11-18H,7H2/t9-,11-,12+,13+/m1/s1
Definition date:2008-10-06
Last modified:2011-06-04
Identifier:(1S,2S,3R,6R)-6-[(2-hydroxybenzyl)amino]cyclohex-4-ene-1,2,3-triol
252
252
Name:(1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID)
Formula:C9 H22 O7 P2
SMILES:O=P(O)(O)C(O)(CCCCCCCC)P(=O)(O)O
InChi:InChI=1S/C9H22O7P2/c1-2-3-4-5-6-7-8-9(10,17(11,12)13)18(14,15)16/h10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)
Definition date:2007-06-28
Last modified:2011-06-04
Identifier:(1-hydroxynonane-1,1-diyl)bis(phosphonic acid)
HAI
HAI
Name:CYCLOHEXYLAMMONIUM ION
Formula:C6 H14 N
SMILES:[NH3+]C1CCCCC1
InChi:InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/p+1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:cyclohexanaminium
253
253
Name:10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine
Formula:C19 H18 N4 O2
SMILES:n2c1cc(OC)c(OC)cc1c4c(c2)c(nc3c(c(N)ccc34)C)N
InChi:InChI=1S/C19H18N4O2/c1-9-13(20)5-4-10-17-11-6-15(24-2)16(25-3)7-14(11)22-8-12(17)19(21)23-18(9)10/h4-8H,20H2,1-3H3,(H2,21,23)
Definition date:2007-09-18
Last modified:2011-06-04
Identifier:10,11-dimethoxy-4-methyldibenzo[c,f][2,7]naphthyridine-3,6-diamine
255
255
Name:N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
Formula:C24 H24 N4 O2 S
SMILES:O=S(=O)(NC(C)(C)C)c1ccc(cc1)c2cc3c(cccc3nc2)Nc4ncccc4
InChi:InChI=1S/C24H24N4O2S/c1-24(2,3)28-31(29,30)19-12-10-17(11-13-19)18-15-20-21(26-16-18)7-6-8-22(20)27-23-9-4-5-14-25-23/h4-16,28H,1-3H3,(H,25,27)
Definition date:2007-09-24
Last modified:2011-06-04
Identifier:N-tert-butyl-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
HAL
HAL
Name:N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE
Formula:C23 H29 N2 O7 P
SMILES:O=C(O)CCCC(=O)NC(P(=O)(O)OCC(=O)NCCc1ccccc1)Cc2ccccc2
InChi:InChI=1S/C23H29N2O7P/c26-20(12-7-13-23(28)29)25-22(16-19-10-5-2-6-11-19)33(30,31)32-17-21(27)24-15-14-18-8-3-1-4-9-18/h1-6,8-11,22H,7,12-17H2,(H,24,27)(H,25,26)(H,28,29)(H,30,31)/t22-/m0/s1
Definition date:2002-08-29
Last modified:2011-06-04
Identifier:(7R,8S)-8-benzyl-7-hydroxy-4,10-dioxo-1-phenyl-6-oxa-3,9-diaza-7-phosphatetradecan-14-oic acid 7-oxide
HAM
HAM
Name:HISTIDYL-ADENOSINE MONOPHOSPHATE
Formula:C16 H21 N8 O8 P
SMILES:[O-]P(=O)(OC(=O)C([NH3+])Cc1ncnc1)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O
InChi:InChI=1S/C16H21N8O8P/c17-8(1-7-2-19-4-20-7)16(27)32-33(28,29)30-3-9-11(25)12(26)15(31-9)24-6-23-10-13(18)21-5-22-14(10)24/h2,4-6,8-9,11-12,15,25-26H,1,3,17H2,(H,19,20)(H,28,29)(H2,18,21,22)/t8-,9+,11+,12+,15+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5'-O-({[(2S)-2-ammonio-3-(1H-imidazol-4-yl)propanoyl]oxy}phosphinato)adenosine
258
258
Name:(2-chloroethoxy)benzene
Formula:C8 H9 Cl O
SMILES:2-chloroethyl phenyl ether
InChi:InChI=1S/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
Definition date:2007-10-01
Last modified:2011-06-04
Identifier:(2-chloroethoxy)benzene
HAN
HAN
Name:2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-1-PENTANOIC ACID
Formula:C14 H19 N3 O2
SMILES:O=C(O)CCCCn1c2cc(c(cc2nc1N)C)C
InChi:InChI=1S/C14H19N3O2/c1-9-7-11-12(8-10(9)2)17(14(15)16-11)6-4-3-5-13(18)19/h7-8H,3-6H2,1-2H3,(H2,15,16)(H,18,19)
Definition date:2004-12-30
Last modified:2011-06-04
Identifier:5-(2-amino-5,6-dimethyl-1H-benzimidazol-1-yl)pentanoic acid
259
259
Name:1-(methylsulfanyl)-4-nitrobenzene
Formula:C7 H7 N O2 S
SMILES:methyl 4-nitrophenyl sulfide
InChi:InChI=1S/C7H7NO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
Definition date:2007-10-02
Last modified:2011-06-04
Identifier:1-(methylsulfanyl)-4-nitrobenzene
25A
25A
Name:5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE
Formula:C30 H38 N15 O19 P3
SMILES:O=P(O)(O)OCC9OC(n1c2ncnc(N)c2nc1)C(OP(=O)(O)OCC8OC(n4cnc3c(ncnc34)N)C(OP(=O)(O)OCC7OC(n5c6ncnc(N)c6nc5)C(O)C7O)C8O)C9O
InChi:InChI=1S/C30H38N15O19P3/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(60-28)2-58-66(53,54)64-21-18(48)12(62-30(21)45-9-42-15-24(33)36-6-39-27(15)45)3-59-67(55,56)63-20-17(47)11(1-57-65(50,51)52)61-29(20)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1
Definition date:2004-05-23
Last modified:2011-06-04
Identifier:[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-{[(R)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)
25D
25D
Name:2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-D-alanine
Formula:C30 H35 N3 O4
SMILES:O=C(Nc1c(cc(cc1C)C)C)Nc3cc4c(cc3C(=O)NC(C(=O)O)(C)C2CCCCC2)cccc4
InChi:InChI=1S/C30H35N3O4/c1-18-14-19(2)26(20(3)15-18)32-29(37)31-25-17-22-11-9-8-10-21(22)16-24(25)27(34)33-30(4,28(35)36)23-12-6-5-7-13-23/h8-11,14-17,23H,5-7,12-13H2,1-4H3,(H,33,34)(H,35,36)(H2,31,32,37)/t30-/m0/s1
Definition date:2008-06-10
Last modified:2011-06-04
Identifier:2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-D-alanine
HAV
HAV
Name:HYDROXYAMINOVALINE
Formula:C5 H12 N2 O2
SMILES:O=C(NO)C(N)C(C)C
InChi:InChI=1S/C5H12N2O2/c1-3(2)4(6)5(8)7-9/h3-4,9H,6H2,1-2H3,(H,7,8)/t4-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-hydroxy-D-valinamide
V5X
V5X
Name:(2R)-N~8~-HYDROXY-2-{[(5-METHOXY-2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}-N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE
Formula:C36 H41 N5 O5
SMILES:O=C(NCCc3c1ccccc1nc3c2ccccc2)C(NC(=O)Cc5c4cc(OC)ccc4nc5C)CCCCCC(=O)NO
InChi:InChI=1S/C36H41N5O5/c1-23-28(29-21-25(46-2)17-18-31(29)38-23)22-34(43)39-32(15-7-4-8-16-33(42)41-45)36(44)37-20-19-27-26-13-9-10-14-30(26)40-35(27)24-11-5-3-6-12-24/h3,5-6,9-14,17-18,21,32,38,40,45H,4,7-8,15-16,19-20,22H2,1-2H3,(H,37,44)(H,39,43)(H,41,42)/t32-/m1/s1
Definition date:2007-07-12
Last modified:2011-06-04
Identifier:(2R)-N~8~-hydroxy-2-{[(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino}-N~1~-[2-(2-phenyl-1H-indol-3-yl)ethyl]octanediamide
HAX
HAX
Name:N-HYDROXYAMIDOCARBOXYMETHYLDETHIA COENZYME *A
Formula:C23 H39 N8 O18 P3
SMILES:O=C(NO)CCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:InChI=1S/C23H39N8O18P3/c1-23(2,18(35)21(36)26-7-5-13(32)25-6-3-4-14(33)30-37)9-46-52(43,44)49-51(41,42)45-8-12-17(48-50(38,39)40)16(34)22(47-12)31-11-29-15-19(24)27-10-28-20(15)31/h10-12,16-18,22,34-35,37H,3-9H2,1-2H3,(H,25,32)(H,26,36)(H,30,33)(H,41,42)(H,43,44)(H2,24,27,28)(H2,38,39,40)/t12-,16-,17-,18+,22-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-[(3-{[4-(hydroxyamino)-4-oxobutyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)
HAZ
HAZ
Name:4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID
Formula:C24 H33 N3 O6
SMILES:O=C(O)CCCC(=O)Nc1ccc(cc1)NC(=O)C[N+]2([O-])C3C(CCC2)(C4OC4(CC3)C)C
InChi:InChI=1S/C24H33N3O6/c1-23-12-4-14-27(32,18(23)11-13-24(2)22(23)33-24)15-20(29)26-17-9-7-16(8-10-17)25-19(28)5-3-6-21(30)31/h7-10,18,22H,3-6,11-15H2,1-2H3,(H,25,28)(H,26,29)(H,30,31)/t18-,22+,23+,24-,27+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5-{[4-({[(1aR,3aR,4S,7aS,7bS)-1a,7a-dimethyl-4-oxidodecahydrooxireno[f]quinolin-4-yl]acetyl}amino)phenyl]amino}-5-oxopentanoic acid

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數據於2025-04-16公開中

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