 | 1KY | Name: | 6-({(1S,5R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one | Formula: | C24 H27 N3 O7 S2 | SMILES: | O=C2N(CCOc1ccc(OC)c(OC)c1)CC3N(C2CCC3)S(=O)(=O)c5ccc4c(SC(=O)N4)c5 | InChi: | InChI=1S/C24H27N3O7S2/c1-32-20-9-6-16(12-21(20)33-2)34-11-10-26-14-15-4-3-5-19(23(26)28)27(15)36(30,31)17-7-8-18-22(13-17)35-24(29)25-18/h6-9,12-13,15,19H,3-5,10-11,14H2,1-2H3,(H,25,29)/t15-,19+/m1/s1 | Definition date: | 2013-03-13 | Last modified: | 2013-08-23 | Release date: | 2013-08-28 | Identifier: | 6-({(1S,5R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one |
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 | 5DM | Name: | N-[(2S)-2-amino-3-phenylpropyl]-D-methionine | Formula: | C14 H22 N2 O2 S | SMILES: | O=C(O)C(NCC(N)Cc1ccccc1)CCSC | InChi: | InChI=1S/C14H22N2O2S/c1-19-8-7-13(14(17)18)16-10-12(15)9-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10,15H2,1H3,(H,17,18)/t12-,13+/m0/s1 | Definition date: | 2011-02-17 | Last modified: | 2013-05-23 | Identifier: | N-[(2S)-2-amino-3-phenylpropyl]-D-methionine |
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 | 62U | Name: | (8S,9R,13R,14S,16R)-21-(furan-2-yl)-13-hydroxy-8,14,19-trimethoxy-16-methyl-4,10,12-trimethylidene-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),18-dien-9-yl carbamate | Formula: | C33 H42 N2 O10 | SMILES: | O=C2C3=C(OC)C(=O)C(c1occc1)=C2NC(=O)C(=C)CCCC(OC)C(OC(=O)N)C(=C)CC(=C)C(O)C(OC)CC(C)C3 | InChi: | InChI=1S/C33H42N2O10/c1-17-14-21-28(37)26(25(22-12-9-13-44-22)29(38)31(21)43-7)35-32(39)18(2)10-8-11-23(41-5)30(45-33(34)40)20(4)16-19(3)27(36)24(15-17)42-6/h9,12-13,17,23-24,27,30,36H,2-4,8,10-11,14-16H2,1,5-7H3,(H2,34,40)(H,35,39)/t17-,23+,24+,27-,30-/m1/s1 | Definition date: | 2012-05-01 | Last modified: | 2013-03-29 | Release date: | 2013-04-03 | Identifier: | (8S,9R,13R,14S,16R)-21-(furan-2-yl)-13-hydroxy-8,14,19-trimethoxy-16-methyl-4,10,12-trimethylidene-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),18-dien-9-yl carbamate |
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 | BH1 | Name: | BACTERIOPHEOPHYTIN | Formula: | C55 H78 N4 O6 | SMILES: | O=C(OC)C3C(=O)c2c(c1C=C6NC(=Cc5nc(C=C4NC(=C3c2n1)C(C4C)CCC(=O)OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)c(c5C(=O)C)C)C(C)C6CC)C | InChi: | InChI=1S/C55H78N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h25,27-32,34-35,39-40,51,56-59H,13-24,26H2,1-12H3/b33-25+,41-29-,42-27-,45-28-,52-50-/t31-,32-,34-,35+,39-,40+,51-/m1/s1 | Definition date: | 2004-12-07 | Last modified: | 2013-03-18 | Identifier: | methyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-13,14,24,26-tetrahydrophorbine-21-carboxylate |
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 | YDJ | Name: | 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide | Formula: | C17 H19 F N4 O2 S | SMILES: | O=C(c1sc(cc1NC(=O)N)c2cccc(F)c2)NC3CCCNC3 | InChi: | InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1 | Definition date: | 2011-03-22 | Last modified: | 2013-03-15 | Identifier: | 3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide |
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 | WT4 | Name: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-S-methyl-D-cysteine | Formula: | C14 H25 N3 O6 S2 | SMILES: | O=C(NC(C(=O)O)CSC)C(NC(=O)CCCC(C(=O)O)N)CCS | InChi: | InChI=1S/C14H25N3O6S2/c1-25-7-10(14(22)23)17-12(19)9(5-6-24)16-11(18)4-2-3-8(15)13(20)21/h8-10,24H,2-7,15H2,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9-,10+/m0/s1 | Definition date: | 2013-01-25 | Last modified: | 2013-03-15 | Release date: | 2013-03-20 | Identifier: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-S-methyl-D-cysteine |
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 | BPH | Name: | BACTERIOPHEOPHYTIN A | Formula: | C55 H76 N4 O6 | SMILES: | O=C(OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCC6c4nc(cc1c(c(C(=O)C)c(n1)cc5nc(cc3c(c2C(=O)C(c4c2n3)C(=O)OC)C)C(CC)C5C)C)C6C | InChi: | InChI=1S/C55H76N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h25,27-32,34-35,39-40,51,57,59H,13-24,26H2,1-12H3/b33-25+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t31-,32-,34-,35+,39-,40+,51-/m1/s1 | Definition date: | 2004-12-07 | Last modified: | 2013-03-11 | Identifier: | methyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-13,14-dihydrophorbine-21-carboxylate |
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 | GK8 | Name: | {[(2S)-2-amino-3-(1H-imidazol-5-yl)propyl]oxy}(trihydroxy)-lambda~5~-arsanyl | Formula: | C6 H13 As N3 O4 | SMILES: | n1cc(nc1)CC(N)CO[As](O)(O)O | InChi: | InChI=1S/C6H14AsN3O4/c8-5(3-14-7(11,12)13)1-6-2-9-4-10-6/h2,4-5,7,11-13H,1,3,8H2,(H,9,10)/t5-/m0/s1 | Definition date: | 2012-08-27 | Last modified: | 2013-02-22 | Release date: | 2013-02-22 | Identifier: | 5-{(2S)-2-amino-3-[(trihydroxy-lambda~5~-arsanyl)oxy]propyl}-1H-imidazole |
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 | U36 | Name: | 2'-O-METHYOXYETHYL-URIDINE-5'-MONOPHOSPHATE | Formula: | C12 H19 N2 O10 P | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(OCCOC)C2O | InChi: | InChI=1S/C12H19N2O10P/c1-21-4-5-22-10-9(16)7(6-23-25(18,19)20)24-11(10)14-3-2-8(15)13-12(14)17/h2-3,7,9-11,16H,4-6H2,1H3,(H,13,15,17)(H2,18,19,20)/t7-,9-,10-,11-/m1/s1 | Definition date: | 1999-05-12 | Last modified: | 2013-02-19 | Identifier: | 2'-O-(2-methoxyethyl)uridine 5'-(dihydrogen phosphate) |
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 | C43 | Name: | 2'-O-METHYOXYETHYL-CYTIDINE-5'-MONOPHOSPHATE | Formula: | C12 H20 N3 O9 P | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(OCCOC)C2O | InChi: | InChI=1S/C12H20N3O9P/c1-21-4-5-22-10-9(16)7(6-23-25(18,19)20)24-11(10)15-3-2-8(13)14-12(15)17/h2-3,7,9-11,16H,4-6H2,1H3,(H2,13,14,17)(H2,18,19,20)/t7-,9-,10-,11-/m1/s1 | Definition date: | 1999-05-12 | Last modified: | 2013-02-19 | Identifier: | 2'-O-(2-methoxyethyl)cytidine 5'-(dihydrogen phosphate) |
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 | DGC | Name: | 4-DEOXY-ALPHA-L-THREO-HEX-4-ENOPYRANURONIC ACID | Formula: | C6 H8 O6 | SMILES: | O=C(O)C=1OC(O)C(O)C(O)C=1 | InChi: | InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4+,6+/m0/s1 | Definition date: | 2003-07-11 | Last modified: | 2013-01-15 | Identifier: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid |
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 | LEP | Name: | N~2~-phosphono-L-leucinamide | Formula: | C6 H15 N2 O4 P | SMILES: | O=P(O)(O)NC(C(=O)N)CC(C)C | InChi: | InChI=1S/C6H15N2O4P/c1-4(2)3-5(6(7)9)8-13(10,11)12/h4-5H,3H2,1-2H3,(H2,7,9)(H3,8,10,11,12)/t5-/m0/s1 | Synonyms: | P-Leu-NH2 | Definition date: | 2009-01-20 | Last modified: | 2012-12-11 | Identifier: | N~2~-phosphono-L-leucinamide |
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 | YBN | Name: | 3-methoxybenzyl 3-(piperidin-4-yloxy)-1-benzothiophene-2-carboxylate | Formula: | C22 H23 N O4 S | SMILES: | O=C(OCc1cccc(OC)c1)c4sc2ccccc2c4OC3CCNCC3 | InChi: | InChI=1S/C22H23NO4S/c1-25-17-6-4-5-15(13-17)14-26-22(24)21-20(27-16-9-11-23-12-10-16)18-7-2-3-8-19(18)28-21/h2-8,13,16,23H,9-12,14H2,1H3 | Definition date: | 2012-09-24 | Last modified: | 2012-11-30 | Release date: | 2012-11-30 | Identifier: | 3-methoxybenzyl 3-(piperidin-4-yloxy)-1-benzothiophene-2-carboxylate |
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 | 0O6 | Name: | (3S,6S,7S,9aS,3'S,6'S,7'S,9a'S)-N,N'-(benzene-1,4-diylbis{butane-4,1-diyl-1H-1,2,3-triazole-1,4-diyl[(S)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide] | Formula: | C64 H88 N14 O8 | SMILES: | O=C9N1C(CCC1C(=O)NC(c2ccccc2)c3nnn(c3)CCCCc4ccc(cc4)CCCCn5nnc(c5)C(c6ccccc6)NC(=O)C8N7C(=O)C(NC(=O)C(NC)CC)C(CO)CCC7CC8)CCC(CO)C9NC(=O)C(NC)CC | InChi: | InChI=1S/C64H88N14O8/c1-5-49(65-3)59(81)69-57-45(39-79)27-29-47-31-33-53(77(47)63(57)85)61(83)67-55(43-19-9-7-10-20-43)51-37-75(73-71-51)35-15-13-17-41-23-25-42(26-24-41)18-14-16-36-76-38-52(72-74-76)56(44-21-11-8-12-22-44)68-62(84)54-34-32-48-30-28-46(40-80)58(64(86)78(48)54)70-60(82)50(6-2)66-4/h7-12,19-26,37-38,45-50,53-58,65-66,79-80H,5-6,13-18,27-36,39-40H2,1-4H3,(H,67,83)(H,68,84)(H,69,81)(H,70,82)/t45-,46-,47+,48+,49+,50+,53+,54+,55+,56+,57+,58+/m1/s1 | Definition date: | 2012-03-29 | Last modified: | 2012-11-30 | Release date: | 2012-11-30 | Identifier: | (3S,6S,7S,9aS,3'S,6'S,7'S,9a'S)-N,N'-(benzene-1,4-diylbis{butane-4,1-diyl-1H-1,2,3-triazole-1,4-diyl[(S)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide] (non-preferred name) |
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 | ZPY | Name: | ethyl 1-{(2S,3S)-3-[(3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoyl)amino]-2-hydroxy-4-phenylbutyl}-1H-pyrazole-4-carboxylate | Formula: | C34 H38 F N5 O7 S | SMILES: | Fc1ccc(cc1)C(NC(=O)c2cc(cc(N(C)S(=O)(=O)C)c2)C(=O)NC(C(O)Cn3ncc(C(=O)OCC)c3)Cc4ccccc4)C | InChi: | InChI=1S/C34H38FN5O7S/c1-5-47-34(44)27-19-36-40(20-27)21-31(41)30(15-23-9-7-6-8-10-23)38-33(43)26-16-25(17-29(18-26)39(3)48(4,45)46)32(42)37-22(2)24-11-13-28(35)14-12-24/h6-14,16-20,22,30-31,41H,5,15,21H2,1-4H3,(H,37,42)(H,38,43)/t22-,30+,31+/m1/s1 | Definition date: | 2011-12-08 | Last modified: | 2012-11-16 | Release date: | 2012-11-16 | Identifier: | ethyl 1-{(2S,3S)-3-[(3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoyl)amino]-2-hydroxy-4-phenylbutyl}-1H-pyrazole-4-carboxylate |
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 | 814 | Name: | [(3R,5S,6R,7R,11S,12Z,14E)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate | Formula: | C35 H44 N2 O9 | SMILES: | CO[CH]1C[CH](C)CC2=C(OC)C(=O)C(=C(NC(=O)C(=CC=C[CH](OC)[CH](OC(N)=O)C(=C[CH](C)[CH]1O)C)C)C2=O)c3ccccc3 | InChi: | InChI=1S/C35H44N2O9/c1-19-16-24-30(39)28(27(31(40)33(24)45-7)23-13-9-8-10-14-23)37-34(41)20(2)12-11-15-25(43-5)32(46-35(36)42)22(4)18-21(3)29(38)26(17-19)44-6/h8-15,18-19,21,25-26,29,32,38H,16-17H2,1-7H3,(H2,36,42)(H,37,41)/b15-11-,20-12+,22-18+/t19-,21-,25+,26+,29-,32-/m1/s1 | Definition date: | 2012-05-01 | Last modified: | 2012-09-12 | Release date: | 2013-04-03 | Identifier: | [(3R,5S,6R,7R,11S,12Z,14E)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate |
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 | 037 | Name: | (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid | Formula: | C8 H13 N O2 | SMILES: | O=C(O)C1NCC2CCCC12 | InChi: | InChI=1S/C8H13NO2/c10-8(11)7-6-3-1-2-5(6)4-9-7/h5-7,9H,1-4H2,(H,10,11)/t5-,6-,7-/m0/s1 | Definition date: | 2011-08-08 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid |
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 | AS7 | Name: | N4-(4-cyanobenzyl)-L-asparagine | Formula: | C12 H13 N3 O3 | SMILES: | O=C(O)C(N)CC(=O)NCc1ccc(C#N)cc1 | InChi: | InChI=1S/C12H13N3O3/c13-6-8-1-3-9(4-2-8)7-15-11(16)5-10(14)12(17)18/h1-4,10H,5,7,14H2,(H,15,16)(H,17,18)/t10-/m0/s1 | Definition date: | 2011-10-26 | Last modified: | 2012-08-24 | Release date: | 2012-08-24 | Identifier: | N-(4-cyanobenzyl)-L-asparagine |
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 | T1G | Name: | (2S,3S)-3-HYDROXY-2-METHYLBUTANOYL-COA | Formula: | C26 H40 N7 O18 P3 S | SMILES: | C[CH](O)[CH](C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P]([O-])([O-])=O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C26H44N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-15,18-20,24,34,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t13-,14-,15+,18+,19+,20-,24+/m0/s1 | Definition date: | 2011-08-18 | Last modified: | 2012-08-03 | Identifier: | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-2,2-dimethyl-4-[[3-[2-[(2S,3S)-2-methyl-3-oxidanyl-butanoyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butoxy]-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] phosphate |
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 | UBV | Name: | N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-isoleucine | Formula: | C21 H34 N3 O7 P | SMILES: | O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)C(C)CC | InChi: | InChI=1S/C21H34N3O7P/c1-5-15(4)18(20(26)27)23-19(25)17(11-14(2)3)24-32(29,30)13-22-21(28)31-12-16-9-7-6-8-10-16/h6-10,14-15,17-18H,5,11-13H2,1-4H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30)/t15-,17-,18-/m0/s1 | Definition date: | 2011-08-03 | Last modified: | 2012-07-27 | Identifier: | N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-isoleucine |
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 | C22 | Name: | 3-chloro-L-alanine | Formula: | C3 H6 Cl N O2 | SMILES: | ClCC(N)C(=O)O | InChi: | InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1 | Definition date: | 2011-04-25 | Last modified: | 2012-07-17 | Identifier: | 3-chloro-L-alanine |
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 | Y0X | Name: | 6,6'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)di(E)diazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid) | Formula: | C34 H28 N6 O16 S4 | SMILES: | O=S(=O)(O)c6c5ccc(/N=N/c1ccc(cc1OC)c4ccc(/N=N/c3ccc2c(cc(c(c2c3O)N)S(=O)(=O)O)S(=O)(=O)O)c(OC)c4)c(O)c5c(N)c(c6)S(=O)(=O)O | InChi: | InChI=1S/C34H28N6O16S4/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b39-37+,40-38+ | Definition date: | 2011-10-06 | Last modified: | 2012-07-13 | Identifier: | 6,6'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)di(E)diazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid) |
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 | 7LI | Name: | (5Z)-5-{2-[(3R)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione | Formula: | C18 H23 N3 O3 S | SMILES: | O=C1C(SC(=O)N1)=Cc2cccc(OC(C)C)c2N3CCCC(N)C3 | InChi: | InChI=1S/C18H23N3O3S/c1-11(2)24-14-7-3-5-12(9-15-17(22)20-18(23)25-15)16(14)21-8-4-6-13(19)10-21/h3,5,7,9,11,13H,4,6,8,10,19H2,1-2H3,(H,20,22,23)/b15-9-/t13-/m1/s1 | Definition date: | 2012-02-22 | Last modified: | 2012-07-06 | Identifier: | (5Z)-5-{2-[(3R)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione |
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 | UHF | Name: | N-((2R,4S)-2-butyl-5-methyl-4-(3-(5-methylpyridin-2-yl)ureido)-3-oxohexyl)-N-hydroxyformamide | Formula: | C19 H30 N4 O4 | SMILES: | O=C(Nc1ncc(cc1)C)NC(C(=O)C(CCCC)CN(O)C=O)C(C)C | InChi: | InChI=1S/C19H30N4O4/c1-5-6-7-15(11-23(27)12-24)18(25)17(13(2)3)22-19(26)21-16-9-8-14(4)10-20-16/h8-10,12-13,15,17,27H,5-7,11H2,1-4H3,(H2,20,21,22,26)/t15-,17+/m1/s1 | Definition date: | 2011-10-20 | Last modified: | 2012-06-22 | Identifier: | 1-[(3S,5R)-5-{[formyl(hydroxy)amino]methyl}-2-methyl-4-oxononan-3-yl]-3-(5-methylpyridin-2-yl)urea |
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 | FHF | Name: | N-((2R,4S)-2-butyl-4-(3-(2-fluorophenyl)ureido)-5-methyl-3-oxohexyl)-N-hydroxyformamide | Formula: | C19 H28 F N3 O4 | SMILES: | O=C(Nc1ccccc1F)NC(C(=O)C(CCCC)CN(O)C=O)C(C)C | InChi: | InChI=1S/C19H28FN3O4/c1-4-5-8-14(11-23(27)12-24)18(25)17(13(2)3)22-19(26)21-16-10-7-6-9-15(16)20/h6-7,9-10,12-14,17,27H,4-5,8,11H2,1-3H3,(H2,21,22,26)/t14-,17+/m1/s1 | Definition date: | 2011-10-20 | Last modified: | 2012-06-22 | Identifier: | 1-(2-fluorophenyl)-3-[(3S,5R)-5-{[formyl(hydroxy)amino]methyl}-2-methyl-4-oxononan-3-yl]urea |
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