 | | Z06 | | Name: | (3-acetamido-5-carboxy-phenyl)-trihydroxy-boron | | Formula: | C9 H11 B N O6 | | SMILES: | CC(=O)Nc1cc(cc(c1)[B-](O)(O)O)C(O)=O | | InChi: | InChI=1S/C9H11BNO6/c1-5(12)11-8-3-6(9(13)14)2-7(4-8)10(15,16)17/h2-4,15-17H,1H3,(H,11,12)(H,13,14)/q-1 | | Definition date: | 2010-12-15 | | Last modified: | 2011-07-29 | | Identifier: | (3-acetamido-5-carboxy-phenyl)-trihydroxy-boron |
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 | | Z10 | | Name: | [(1S)-1-[(2-fluoro-6-phenyl-phenyl)carbonylamino]ethyl]-trihydroxy-boron | | Formula: | C15 H16 B F N O4 | | SMILES: | C[CH](NC(=O)c1c(F)cccc1c2ccccc2)[B-](O)(O)O | | InChi: | InChI=1S/C15H16BFNO4/c1-10(16(20,21)22)18-15(19)14-12(8-5-9-13(14)17)11-6-3-2-4-7-11/h2-10,20-22H,1H3,(H,18,19)/q-1/t10-/m1/s1 | | Definition date: | 2010-12-15 | | Last modified: | 2011-07-29 | | Identifier: | [(1S)-1-[(2-fluoro-6-phenyl-phenyl)carbonylamino]ethyl]-trihydroxy-boron |
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 | | A01 | | Name: | [(2,6-DIMETHOXYPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON | | Formula: | C10 H15 B N O6 | | SMILES: | COc1cccc(OC)c1C(=O)NC[B-](O)(O)O | | InChi: | InChI=1S/C10H15BNO6/c1-17-7-4-3-5-8(18-2)9(7)10(13)12-6-11(14,15)16/h3-5,14-16H,6H2,1-2H3,(H,12,13)/q-1 | | Definition date: | 2010-12-15 | | Last modified: | 2011-07-29 | | Identifier: | [(2,6-dimethoxyphenyl)carbonylamino]methyl-trihydroxy-boron |
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 | | E06 | | Name: | [(1R)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron | | Formula: | C9 H11 B F2 N O4 | | SMILES: | C[CH](NC(=O)c1c(F)cccc1F)[B-](O)(O)O | | InChi: | InChI=1S/C9H11BF2NO4/c1-5(10(15,16)17)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-17H,1H3,(H,13,14)/q-1/t5-/m0/s1 | | Definition date: | 2010-12-15 | | Last modified: | 2011-07-29 | | Identifier: | [(1R)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron |
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 | | E07 | | Name: | TRIHYDROXY-[(1S)-1-[[2-(PHENYLMETHYL)PHENYL]CARBONYLAMINO]ETHYL]BORON | | Formula: | C16 H19 B N O4 | | SMILES: | C[CH](NC(=O)c1ccccc1Cc2ccccc2)[B](O)(O)O | | InChi: | InChI=1S/C16H19BNO4/c1-12(17(20,21)22)18-16(19)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12,20-22H,11H2,1H3,(H,18,19)/q-1/t12-/m1/s1 | | Definition date: | 2010-12-15 | | Last modified: | 2011-07-29 | | Identifier: | trihydroxy-[(1S)-1-[[2-(phenylmethyl)phenyl]carbonylamino]ethyl]boron |
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 | | E08 | | Name: | TRIHYDROXY-[(1S)-1-[(2-PROPAN-2-YLPHENYL)CARBONYLAMINO]ETHYL]BORON | | Formula: | C12 H19 B N O4 | | SMILES: | CC(C)c1ccccc1C(=O)N[CH](C)[B-](O)(O)O | | InChi: | InChI=1S/C12H19BNO4/c1-8(2)10-6-4-5-7-11(10)12(15)14-9(3)13(16,17)18/h4-9,16-18H,1-3H3,(H,14,15)/q-1/t9-/m1/s1 | | Definition date: | 2010-12-15 | | Last modified: | 2011-07-29 | | Identifier: | trihydroxy-[(1S)-1-[(2-propan-2-ylphenyl)carbonylamino]ethyl]boron |
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 | | EO9 | | Name: | [(1S)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron | | Formula: | C9 H11 B F2 N O4 | | SMILES: | C[CH](NC(=O)c1c(F)cccc1F)[B-](O)(O)O | | InChi: | InChI=1S/C9H11BF2NO4/c1-5(10(15,16)17)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-17H,1H3,(H,13,14)/q-1/t5-/m1/s1 | | Definition date: | 2010-12-15 | | Last modified: | 2011-07-29 | | Identifier: | [(1S)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron |
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 | | ZA3 | | Name: | TRIHYDROXY-[[(2-NITROPHENYL)CARBONYLAMINO]METHYL]BORON | | Formula: | C8 H10 B N2 O6 | | SMILES: | O[B-](O)(O)CNC(=O)c1ccccc1[N+]([O-])=O | | InChi: | InChI=1S/C8H10BN2O6/c12-8(10-5-9(13,14)15)6-3-1-2-4-7(6)11(16)17/h1-4,13-15H,5H2,(H,10,12)/q-1 | | Definition date: | 2010-12-15 | | Last modified: | 2011-07-22 | | Identifier: | trihydroxy-[[(2-nitrophenyl)carbonylamino]methyl]boron |
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 | | BH6 | | Name: | {[(2-chlorobenzoyl)amino]methyl}boronic acid | | Formula: | C8 H9 B Cl N O3 | | SMILES: | O=C(c1ccccc1Cl)NCB(O)O | | InChi: | InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12) | | Definition date: | 2011-01-13 | | Last modified: | 2011-07-22 | | Identifier: | {[(2-chlorobenzoyl)amino]methyl}boronic acid |
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 | | FP5 | | Name: | PHENYLACETAMIDOMETHYL BORONIC ACID | | Formula: | C9 H12 B N O3 | | SMILES: | OB(O)CNC(=O)Cc1ccccc1 | | InChi: | InChI=1S/C9H12BNO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5,13-14H,6-7H2,(H,11,12) | | Definition date: | 2011-01-12 | | Last modified: | 2011-07-22 | | Identifier: | (2-phenylethanoylamino)methylboronic acid |
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 | | 5AB | | Name: | [(5S)-5-amino-5-carboxyhexyl](trihydroxy)borate | | Formula: | C7 H17 B N O5 | | SMILES: | O=C(O)C(N)(CCCC[B-](O)(O)O)C | | InChi: | InChI=1S/C7H17BNO5/c1-7(9,6(10)11)4-2-3-5-8(12,13)14/h12-14H,2-5,9H2,1H3,(H,10,11)/q-1/t7-/m0/s1 | | Definition date: | 2011-06-28 | | Last modified: | 2011-07-15 | | Identifier: | [(5S)-5-amino-5-carboxyhexyl](trihydroxy)borate(1-) |
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 | | 4U7 | | Name: | [(5S)-5-amino-5-carboxy-6,6-difluorohexyl](trihydroxy)borate(1-) | | Formula: | C7 H15 B F2 N O5 | | SMILES: | FC(F)C(N)(C(=O)O)CCCC[B-](O)(O)O | | InChi: | InChI=1S/C7H15BF2NO5/c9-5(10)7(11,6(12)13)3-1-2-4-8(14,15)16/h5,14-16H,1-4,11H2,(H,12,13)/q-1/t7-/m1/s1 | | Definition date: | 2011-06-28 | | Last modified: | 2011-07-15 | | Identifier: | [(5S)-5-amino-5-carboxy-6,6-difluorohexyl](trihydroxy)borate(1-) |
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 | | FB5 | | Name: | 2-(difluoromethyl)-6-(dihydroxyboranyl)-L-norleucine | | Formula: | C7 H14 B F2 N O4 | | SMILES: | FC(F)C(N)(C(=O)O)CCCCB(O)O | | InChi: | InChI=1S/C7H14BF2NO4/c9-5(10)7(11,6(12)13)3-1-2-4-8(14)15/h5,14-15H,1-4,11H2,(H,12,13)/t7-/m1/s1 | | Definition date: | 2011-06-27 | | Last modified: | 2011-07-15 | | Identifier: | 2-(difluoromethyl)-6-(dihydroxyboranyl)-L-norleucine |
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 | | FB6 | | Name: | 6-(dihydroxyboranyl)-2-methyl-L-norleucine | | Formula: | C7 H16 B N O4 | | SMILES: | O=C(O)C(N)(CCCCB(O)O)C | | InChi: | InChI=1S/C7H16BNO4/c1-7(9,6(10)11)4-2-3-5-8(12)13/h12-13H,2-5,9H2,1H3,(H,10,11)/t7-/m0/s1 | | Definition date: | 2011-06-27 | | Last modified: | 2011-07-15 | | Identifier: | 6-(dihydroxyboranyl)-2-methyl-L-norleucine |
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 | | 0ZW | | Name: | N-(tert-butoxycarbonyl)-L-alanyl-N-{(1S)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-L-valinamide | | Formula: | C21 H44 B N4 O7 | | SMILES: | O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(B(O)OCCCO)CCCC[NH3+])C(C)C)C | | InChi: | InChI=1S/C21H43BN4O7/c1-14(2)17(26-18(28)15(3)24-20(30)33-21(4,5)6)19(29)25-16(10-7-8-11-23)22(31)32-13-9-12-27/h14-17,27,31H,7-13,23H2,1-6H3,(H,24,30)(H,25,29)(H,26,28)/p+1/t15-,16-,17-/m0/s1 | | Definition date: | 2008-08-18 | | Last modified: | 2011-07-13 | | Identifier: | N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-L-valinamide |
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 | | 0ZX | | Name: | N-(tert-butoxycarbonyl)-L-alanyl-N-[(1S)-5-amino-1-(diethoxyboranyl)pentyl]-L-valinamide | | Formula: | C22 H45 B N4 O6 | | SMILES: | O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(B(OCC)OCC)CCCCN)C(C)C)C | | InChi: | InChI=1S/C22H45BN4O6/c1-9-31-23(32-10-2)17(13-11-12-14-24)26-20(29)18(15(3)4)27-19(28)16(5)25-21(30)33-22(6,7)8/h15-18H,9-14,24H2,1-8H3,(H,25,30)(H,26,29)(H,27,28)/t16-,17-,18-/m0/s1 | | Definition date: | 2009-02-04 | | Last modified: | 2011-07-13 | | Identifier: | N-(tert-butoxycarbonyl)-L-alanyl-N-[(1S)-5-amino-1-(diethoxyboranyl)pentyl]-L-valinamide |
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 | | 0ZY | | Name: | N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-L-valinamide | | Formula: | C19 H40 B N4 O6 | | SMILES: | O=C(NC(B(O)OC)CCCC[NH3+])C(NC(=O)C(NC(=O)OC(C)(C)C)C)C(C)C | | InChi: | InChI=1S/C19H39BN4O6/c1-12(2)15(17(26)23-14(20(28)29-7)10-8-9-11-21)24-16(25)13(3)22-18(27)30-19(4,5)6/h12-15,28H,8-11,21H2,1-7H3,(H,22,27)(H,23,26)(H,24,25)/p+1/t13-,14-,15-/m0/s1 | | Definition date: | 2008-08-19 | | Last modified: | 2011-07-13 | | Identifier: | N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-L-valinamide |
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 | | 3QT | | Name: | 6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline | | Formula: | C20 H16 N6 | | SMILES: | n1cc(n2nc(ccc12)c3cn(nc3)C)Cc5cc4cccnc4cc5 | | InChi: | InChI=1S/C20H16N6/c1-25-13-16(11-23-25)19-6-7-20-22-12-17(26(20)24-19)10-14-4-5-18-15(9-14)3-2-8-21-18/h2-9,11-13H,10H2,1H3 | | Definition date: | 2011-02-24 | | Last modified: | 2011-07-01 | | Identifier: | 6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline |
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 | | UNV | | Name: | 6,7-dihydro-5H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid) | | Formula: | C8 H11 N O6 P2 | | SMILES: | O=P(O)(O)C2(Cc1cccnc1C2)P(=O)(O)O | | InChi: | InChI=1S/C8H11NO6P2/c10-16(11,12)8(17(13,14)15)4-6-2-1-3-9-7(6)5-8/h1-3H,4-5H2,(H2,10,11,12)(H2,13,14,15) | | Definition date: | 2011-05-20 | | Last modified: | 2011-06-24 | | Identifier: | 6,7-dihydro-5H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid) |
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 | | BGR | | Name: | [[(2R,3S,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]boranuide | | Formula: | C10 H16 B N5 O6 P | | SMILES: | [BH3-][P](O)(=O)OC[CH]1O[CH](C[CH]1O)n2cnc3C(=O)NC(=Nc23)N | | InChi: | InChI=1S/C10H16BN5O6P/c11-23(19,20)21-2-5-4(17)1-6(22-5)16-3-13-7-8(16)14-10(12)15-9(7)18/h3-6,17H,1-2H2,11H3,(H,19,20)(H3,12,14,15,18)/q-1/t4-,5+,6+/m0/s1 | | Definition date: | 2011-04-13 | | Last modified: | 2011-06-24 | | Identifier: | [[(2R,3S,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]boranuide |
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 | | MPW | | Name: | 2-[2-(4-methoxypyridin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridine | | Formula: | C14 H14 N4 O | | SMILES: | n1cccc2nc(nc12)CCc3nccc(OC)c3 | | InChi: | InChI=1S/C14H14N4O/c1-19-11-6-8-15-10(9-11)4-5-13-17-12-3-2-7-16-14(12)18-13/h2-3,6-9H,4-5H2,1H3,(H,16,17,18) | | Definition date: | 2010-07-12 | | Last modified: | 2011-06-17 | | Identifier: | 2-[2-(4-methoxypyridin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridine |
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 | | 5EH | | Name: | (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine | | Formula: | C19 H21 N O | | SMILES: | O3c1ccccc1/C(c2c(cccc2)C3)=C/CCN(C)C | | InChi: | InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+ | | Definition date: | 2011-05-25 | | Last modified: | 2011-06-10 | | Identifier: | (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine |
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 | | D7V | | Name: | (3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine | | Formula: | C19 H21 N O | | SMILES: | O3c1ccccc1/C(c2c(cccc2)C3)=CCCN(C)C | | InChi: | InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11- | | Definition date: | 2011-05-25 | | Last modified: | 2011-06-10 | | Identifier: | (3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine |
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 | | MNH | | Name: | MANGANESE PROTOPORPHYRIN IX | | Formula: | C34 H32 Mn N4 O4 | | SMILES: | O=C(O)CCC=1c4[n+]3C(C=1C)=Cc8c(c(c7cc2C(=C(C6=[n+]2[Mn+2]3(n5c(c4)C(=C(C5=C6)C)CCC(=O)O)n78)C)/C=C)C)/C=C | | InChi: | InChI=1S/C34H34N4O4.Mn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25 | | Definition date: | 2005-09-27 | | Last modified: | 2011-06-07 | | Identifier: | [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]manganese(4+) |
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 | | MNR | | Name: | PROTOPORPHYRIN IX CONTAINING MN | | Formula: | C34 H32 Mn N4 O4 | | SMILES: | O=C(O)CCC5=C(c4cc3C(/C=C)=C(C2=Cc8c(c(c7cc1C(=C(C6=[n+]1[Mn+3]([n+]23)(n4C5=C6)n78)CCC(=O)O)C)C)/C=C)C)C | | InChi: | InChI=1S/C34H34N4O4.Mn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25 | | Definition date: | 2006-01-18 | | Last modified: | 2011-06-07 | | Identifier: | [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]manganese(5+) |
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