 | | BME | | Name: | BETA-MERCAPTOETHANOL | | Formula: | C2 H6 O S | | SMILES: | OCCS | | InChi: | InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-sulfanylethanol |
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 | | BMG | | Name: | (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-meth
yl-4,5-dihydro-1H-pyrrole-2-carboxylate | | Formula: | C15 H20 N4 O4 S | | SMILES: | O=CC(C(O)C)C3NC(C([O-])=O)=C(SC2C[n+]1cncn1C2)C3C | | InChi: | InChI=1S/C15H20N4O4S/c1-8-12(11(5-20)9(2)21)17-13(15(22)23)14(8)24-10-3-18-6-16-7-19(18)4-10/h5-12,17,21H,3-4H2,1-2H3/t8-,9-,11-,12-/m1/s1 | | Synonyms: | (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylthio)-5-((2S,3R)-3-hydroxy-1-oxobutan-2-yl)-4-
methyl-4,5-dihydro-1H-pyrrole-2-carboxylate | | Definition date: | 2007-11-05 | | Last modified: | 2024-09-27 | | Identifier: | (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylate |
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 | | BMT | | Name: | 4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHYL-THREONINE | | Formula: | C10 H19 N O3 | | SMILES: | O=C(O)C(NC)C(O)C(C/C=C/C)C | | InChi: | InChI=1S/C10H19NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h4-5,7-9,11-12H,6H2,1-3H3,(H,13,14)/b5-4+/t7-,8+,9-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid |
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 | | BN6 | | Name: | (2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID | | Formula: | C35 H52 N6 O9 | | SMILES: | O=C(NC(C(O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)O)CC2CC2)N(NC(=O)C(NC(=O)OCC(C)C)C3CCCCC3)CC4CC4 | | InChi: | InChI=1S/C35H52N6O9/c1-21(2)20-50-35(49)39-28(24-9-5-3-6-10-24)31(44)40-41(19-23-15-16-23)34(48)37-26(17-22-13-14-22)30(43)32(45)36-18-27(42)38-29(33(46)47)25-11-7-4-8-12-25/h4,7-8,11-12,21-24,26,28-30,43H,3,5-6,9-10,13-20H2,1-2H3,(H,36,45)(H,37,48)(H,38,42)(H,39,49)(H,40,44)(H,46,47)/t26-,28-,29-,30+/m0/s1 | | Definition date: | 2007-01-02 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-({N-[(2R,3S,9S)-9-cyclohexyl-3,6-bis(cyclopropylmethyl)-2-hydroxy-14-methyl-5,8,11-trioxo-12-oxa-4,6,7,10-tetraazapentadecan-1-oyl]glycyl}amino)(phenyl)ethanoic acid |
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 | | BO2 | | Name: | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE | | Formula: | C19 H25 B N4 O4 | | SMILES: | O=C(NC(C(=O)NC(B(O)O)CC(C)C)Cc1ccccc1)c2nccnc2 | | InChi: | InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 | | Synonyms: | BORTEZOMIB | | Definition date: | 2006-01-06 | | Last modified: | 2024-09-27 | | Identifier: | N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide |
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 | | BO4 | | Name: | BORATE ION | | Formula: | B H4 O4 | | SMILES: | O[B-](O)(O)O | | InChi: | InChI=1S/BH4O4/c2-1(3,4)5/h2-5H/q-1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | tetrahydroxyborate(1-) |
|
 | | BO8 | | Name: | (D-ALPHA-AMINOPIMELYLAMINO)-D-1-ETHYLBORONIC ACID | | Formula: | C9 H20 B N2 O6 | | SMILES: | O=C(NC(C)[B-](O)(O)O)CCCCC(C(=O)O)N | | InChi: | InChI=1S/C9H20BN2O6/c1-6(10(16,17)18)12-8(13)5-3-2-4-7(11)9(14)15/h6-7,16-18H,2-5,11H2,1H3,(H,12,13)(H,14,15)/q-1/t6-,7-/m1/s1 | | Definition date: | 2010-05-04 | | Last modified: | 2024-09-27 | | Identifier: | [(1S)-1-{[(6R)-6-amino-6-carboxyhexanoyl]amino}ethyl](trihydroxy)borate(1-) |
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 | | BO9 | | Name: | N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA-GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL-L-LYSINAMIDE | | Formula: | C26 H41 B N4 O10 | | SMILES: | O=C(OC(C)(C)C)NC(C(=O)O)CCC(=O)NC(C(=O)NC(B(O)O)C)CCCCNC(=O)OCc1ccccc1 | | InChi: | InChI=1S/C26H41BN4O10/c1-17(27(38)39)29-22(33)19(12-8-9-15-28-24(36)40-16-18-10-6-5-7-11-18)30-21(32)14-13-20(23(34)35)31-25(37)41-26(2,3)4/h5-7,10-11,17,19-20,38-39H,8-9,12-16H2,1-4H3,(H,28,36)(H,29,33)(H,30,32)(H,31,37)(H,34,35)/t17-,19+,20+/m1/s1 | | Synonyms: | BOC-GAMMA-D-GLU-L-LYS(CBZ)-D-BOROALA | | Definition date: | 2005-04-18 | | Last modified: | 2024-09-27 | | Identifier: | N-(tert-butoxycarbonyl)-L-gamma-glutamyl-N~6~-[(benzyloxy)carbonyl]-N-[(1S)-1-(dihydroxyboranyl)ethyl]-L-lysinamide |
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 | | BOC | | Name: | TERT-BUTYL HYDROGEN CARBONATE | | Formula: | C5 H10 O3 | | SMILES: | O=C(O)OC(C)(C)C | | InChi: | InChI=1S/C5H10O3/c1-5(2,3)8-4(6)7/h1-3H3,(H,6,7) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | tert-butyl hydrogen carbonate |
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 | | BOR | | Name: | (1R)-1-AMINO-4-{[(E)-AMINO(IMINO)METHYL]AMINO}BUTYLBORONIC ACID | | Formula: | C5 H15 B N4 O2 | | SMILES: | OB(O)C(N)CCCNC(=[N@H])N | | InChi: | InChI=1S/C5H15BN4O2/c7-4(6(11)12)2-1-3-10-5(8)9/h4,11-12H,1-3,7H2,(H4,8,9,10)/t4-/m0/s1 | | Synonyms: | BORO ARGININE | | Definition date: | 2003-03-24 | | Last modified: | 2024-09-27 | | Identifier: | [(1R)-1-amino-4-carbamimidamidobutyl]boronic acid |
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 | | BOU | | Name: | (2R,4S)-2-[(1R)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic
acid | | Formula: | C22 H22 N2 O6 S | | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3ccccc3c2ccccc2C(=O)O | | InChi: | InChI=1S/C22H22N2O6S/c1-22(2)17(21(29)30)24-19(31-22)16(11-25)23-18(26)14-9-5-3-7-12(14)13-8-4-6-10-15(13)20(27)28/h3-11,16-17,19,24H,1-2H3,(H,23,26)(H,27,28)(H,29,30)/t16-,17+,19-/m1/s1 | | Synonyms: | CBAP, open form | | Definition date: | 2011-06-13 | | Last modified: | 2024-09-27 | | Identifier: | (2R,4S)-2-[(1R)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | BOV | | Name: | 4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide | | Formula: | C22 H27 F2 N5 O4 | | SMILES: | CC(C)C[CH](NC(=O)c1[nH]c2cccc(F)c2c1)C(=O)NN(C[CH]3CCNC3=O)C(=O)CF | | InChi: | InChI=1S/C22H27F2N5O4/c1-12(2)8-17(27-21(32)18-9-14-15(24)4-3-5-16(14)26-18)22(33)28-29(19(30)10-23)11-13-6-7-25-20(13)31/h3-5,9,12-13,17,26H,6-8,10-11H2,1-2H3,(H,25,31)(H,27,32)(H,28,33)/t13-,17-/m0/s1 | | Definition date: | 2022-03-29 | | Last modified: | 2024-09-27 | | Release date: | 2022-11-09 | | Identifier: | 4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide |
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 | | BP4 | | Name: | biphenyl-4-ylacetic acid | | Formula: | C14 H12 O2 | | SMILES: | O=C(O)Cc1ccc(cc1)c2ccccc2 | | InChi: | InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16) | | Definition date: | 2002-08-23 | | Last modified: | 2024-09-27 | | Identifier: | biphenyl-4-ylacetic acid |
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 | | BP5 | | Name: | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | | Formula: | C13 H13 N3 O2 | | SMILES: | O=C(O)C(N)Cc2cnc(c1ncccc1)cc2 | | InChi: | InChI=1S/C13H13N3O2/c14-10(13(17)18)7-9-4-5-12(16-8-9)11-3-1-2-6-15-11/h1-6,8,10H,7,14H2,(H,17,18)/t10-/m0/s1 | | Definition date: | 2007-05-23 | | Last modified: | 2024-09-27 | | Identifier: | 3-(2,2'-bipyridin-5-yl)-L-alanine |
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 | | BPE | | Name: | (2S)-2-AMINO-3-[(3-AMINOPROPYL)SULFANYL]PROPAN-1-OL | | Formula: | C6 H16 N2 O S | | SMILES: | OCC(N)CSCCCN | | InChi: | InChI=1S/C6H16N2OS/c7-2-1-3-10-5-6(8)4-9/h6,9H,1-5,7-8H2/t6-/m1/s1 | | Synonyms: | S-PROPYLAMINE-L-CYSTEINE | | Definition date: | 2005-05-20 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-2-amino-3-[(3-aminopropyl)sulfanyl]propan-1-ol |
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 | | BPR | | Name: | (2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE | | Formula: | C9 H17 B N2 O3 | | SMILES: | O=C(N1C(B(O)O)CCC1)C2NCCC2 | | InChi: | InChI=1S/C9H17BN2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11,14-15H,1-6H2/t7-,8-/m0/s1 | | Definition date: | 2005-08-19 | | Last modified: | 2024-09-27 | | Identifier: | [(2R)-1-L-prolylpyrrolidin-2-yl]boronic acid |
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 | | BQ7 | | Name: | (3S)-3-amino-2,2-difluoro-3-phenylpropanoic acid | | Formula: | C9 H9 F2 N O2 | | SMILES: | O=C(O)C(F)(F)C(N)c1ccccc1 | | InChi: | InChI=1S/C9H9F2NO2/c10-9(11,8(13)14)7(12)6-4-2-1-3-5-6/h1-5,7H,12H2,(H,13,14)/t7-/m0/s1 | | Definition date: | 2013-09-16 | | Last modified: | 2024-09-27 | | Release date: | 2014-05-07 | | Identifier: | (3S)-3-amino-2,2-difluoro-3-phenylpropanoic acid |
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 | | BQD | | Name: | (3R)-N-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-L-prolinamide | | Formula: | C18 H19 Br N2 O3 | | SMILES: | C3C(C(C(=O)Nc2cc1ccc(cc1cc2)Br)N(C(CC)=O)C3)O | | InChi: | InChI=1S/C18H19BrN2O3/c1-2-16(23)21-8-7-15(22)17(21)18(24)20-14-6-4-11-9-13(19)5-3-12(11)10-14/h3-6,9-10,15,17,22H,2,7-8H2,1H3,(H,20,24)/t15-,17+/m1/s1 | | Definition date: | 2017-08-23 | | Last modified: | 2024-09-27 | | Release date: | 2018-01-31 | | Identifier: | (3R)-N-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-L-prolinamide |
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 | | BQL | | Name: | [(2~{S})-2-azanyl-3-oxidanylidene-propyl] [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Formula: | C12 H18 N3 O10 P | | SMILES: | N[CH](CO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O)C=O | | InChi: | InChI=1S/C12H18N3O10P/c13-6(3-16)4-23-26(21,22)24-5-7-9(18)10(19)11(25-7)15-2-1-8(17)14-12(15)20/h1-3,6-7,9-11,18-19H,4-5,13H2,(H,21,22)(H,14,17,20)/t6-,7-,9-,10-,11-/m1/s1 | | Definition date: | 2019-03-04 | | Last modified: | 2024-09-27 | | Release date: | 2019-03-20 | | Identifier: | [(2~{S})-2-azanyl-3-oxidanylidene-propyl] [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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 | | BQO | | Name: | [(2~{R},3~{S})-3-azanyl-4-oxidanylidene-butan-2-yl] [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Formula: | C13 H20 N3 O10 P | | SMILES: | C[CH](O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O)[CH](N)C=O | | InChi: | InChI=1S/C13H20N3O10P/c1-6(7(14)4-17)26-27(22,23)24-5-8-10(19)11(20)12(25-8)16-3-2-9(18)15-13(16)21/h2-4,6-8,10-12,19-20H,5,14H2,1H3,(H,22,23)(H,15,18,21)/t6-,7-,8-,10-,11-,12-/m1/s1 | | Definition date: | 2019-03-04 | | Last modified: | 2024-09-27 | | Release date: | 2019-03-20 | | Identifier: | [(2~{R},3~{S})-3-azanyl-4-oxidanylidene-butan-2-yl] [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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 | | BR | | Name: | BROMIDE ION | | Formula: | Br | | SMILES: | [Br-] | | InChi: | InChI=1S/BrH/h1H/p-1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | bromide |
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 | | BR1 | | Name: | (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol | | Formula: | C22 H25 Br N2 O2 | | SMILES: | BrCc1ccc(nc1)c2oc(nc2)C(O)CCCCCCc3ccccc3 | | InChi: | InChI=1S/C22H25BrN2O2/c23-14-18-12-13-19(24-15-18)21-16-25-22(27-21)20(26)11-7-2-1-4-8-17-9-5-3-6-10-17/h3,5-6,9-10,12-13,15-16,20,26H,1-2,4,7-8,11,14H2/t20-/m0/s1 | | Synonyms: | 1-(5-(5-(bromomethyl)pyridin-2-yl)-7-phenylheptan-1-one, bound form | | Definition date: | 2013-02-14 | | Last modified: | 2024-09-27 | | Release date: | 2013-05-01 | | Identifier: | (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol |
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 | | BSA | | Name: | 2-(BENZOYLAMINO)ETHANESULFONIC ACID | | Formula: | C9 H11 N O4 S | | SMILES: | O=C(NCCS(=O)(=O)O)c1ccccc1 | | InChi: | InChI=1S/C9H11NO4S/c11-9(8-4-2-1-3-5-8)10-6-7-15(12,13)14/h1-5H,6-7H2,(H,10,11)(H,12,13,14) | | Definition date: | 2005-02-11 | | Last modified: | 2024-09-27 | | Identifier: | 2-[(phenylcarbonyl)amino]ethanesulfonic acid |
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 | | BSE | | Name: | BETA-3-SERINE | | Formula: | C4 H9 N O3 | | SMILES: | O=C(O)C(CN)CO | | InChi: | InChI=1S/C4H9NO3/c5-1-3(2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1 | | Definition date: | 2001-06-01 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-3-amino-2-(hydroxymethyl)propanoic acid |
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 | | BSF | | Name: | {[(benzylsulfonyl)amino]methyl}boronic acid | | Formula: | C8 H12 B N O4 S | | SMILES: | O=S(=O)(NCB(O)O)Cc1ccccc1 | | InChi: | InChI=1S/C8H12BNO4S/c11-9(12)7-10-15(13,14)6-8-4-2-1-3-5-8/h1-5,10-12H,6-7H2 | | Definition date: | 2010-08-03 | | Last modified: | 2024-09-27 | | Identifier: | {[(benzylsulfonyl)amino]methyl}boronic acid |
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