 | | BAF | | Name: | (TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE | | Formula: | C11 H21 N3 O4 | | SMILES: | O=C(OC(C)(C)C)NC(C(=O)NC(NC=O)C)C | | InChi: | InChI=1S/C11H21N3O4/c1-7(9(16)14-8(2)12-6-15)13-10(17)18-11(3,4)5/h6-8H,1-5H3,(H,12,15)(H,13,17)(H,14,16)/t7-,8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N~2~-(tert-butoxycarbonyl)-N-[(1S)-1-(formylamino)ethyl]-L-alaninamide |
|
 | | BAL | | Name: | BETA-ALANINE | | Formula: | C3 H7 N O2 | | SMILES: | O=C(O)CCN | | InChi: | InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | beta-alanine |
|
 | | QT4 | | Name: | ~{N}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide | | Formula: | C14 H17 B F2 N3 O | | SMILES: | CC(=O)NCc1ccc2Cc3n(c(C)cc3C)[B](F)(F)n12 | | InChi: | InChI=1S/C14H17BF2N3O/c1-9-6-10(2)19-14(9)7-12-4-5-13(8-18-11(3)21)20(12)15(19,16)17/h4-6H,7-8H2,1-3H3,(H,18,21) | | Definition date: | 2019-12-17 | | Last modified: | 2024-09-27 | | Release date: | 2020-05-06 | | Identifier: | ~{N}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide |
|
 | | QT7 | | Name: | 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide | | Formula: | C11 H20 Cl N O3 S | | SMILES: | N(CC(C)(C)C)(C1CCS(C1)(=O)=O)C(CCl)=O | | InChi: | InChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3/t9-/m1/s1 | | Definition date: | 2019-12-18 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-30 | | Identifier: | 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide |
|
 | | BB6 | | Name: | (2Z)-2-amino-3-sulfanylbut-2-enoic acid | | Formula: | C4 H7 N O2 S | | SMILES: | O=C(O)/C(N)=C(/S)C | | InChi: | InChI=1S/C4H7NO2S/c1-2(8)3(5)4(6)7/h8H,5H2,1H3,(H,6,7)/b3-2- | | Definition date: | 2009-01-15 | | Last modified: | 2024-09-27 | | Identifier: | (2Z)-2-amino-3-sulfanylbut-2-enoic acid |
|
 | | BB7 | | Name: | (2Z)-2-amino-4-methoxy-3-sulfanylbut-2-enoic acid | | Formula: | C5 H9 N O3 S | | SMILES: | O=C(O)/C(N)=C(/S)COC | | InChi: | InChI=1S/C5H9NO3S/c1-9-2-3(10)4(6)5(7)8/h10H,2,6H2,1H3,(H,7,8)/b4-3- | | Definition date: | 2009-01-15 | | Last modified: | 2024-09-27 | | Identifier: | (2Z)-2-amino-4-methoxy-3-sulfanylbut-2-enoic acid |
|
 | | BB8 | | Name: | (2S,3S)-BETA-HYDROXY-PHENYLALANINE | | Formula: | C9 H11 N O3 | | SMILES: | O=C(O)C(N)C(O)c1ccccc1 | | InChi: | InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8-/m0/s1 | | Synonyms: | BETA-HYDROXY-PHENYLALANINE | | Definition date: | 2009-01-15 | | Last modified: | 2024-09-27 | | Identifier: | (betaS)-beta-hydroxy-L-phenylalanine |
|
 | | BB9 | | Name: | (2Z)-2-amino-3-sulfanylprop-2-enoic acid | | Formula: | C3 H5 N O2 S | | SMILES: | O=C(O)/C(N)=C/S | | InChi: | InChI=1S/C3H5NO2S/c4-2(1-7)3(5)6/h1,7H,4H2,(H,5,6)/b2-1- | | Definition date: | 2009-01-15 | | Last modified: | 2024-09-27 | | Identifier: | (2Z)-2-amino-3-sulfanylprop-2-enoic acid |
|
 | | BBC | | Name: | 3-[(4-AMINOBUTYL)SULFINYL]-2-IMINOPROPAN-1-OL | | Formula: | C7 H16 N2 O2 S | | SMILES: | O=S(CC(=[N@H])CO)CCCCN | | InChi: | InChI=1S/C7H16N2O2S/c8-3-1-2-4-12(11)6-7(9)5-10/h9-10H,1-6,8H2/b9-7+/t12-/m0/s1 | | Definition date: | 2005-05-18 | | Last modified: | 2024-09-27 | | Identifier: | (2E)-3-[(S)-(4-aminobutyl)sulfinyl]-2-iminopropan-1-ol |
|
 | | BBL | | Name: | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | | Formula: | C11 H13 N O4 | | SMILES: | O=C(O)C(NC(=O)OCc1ccccc1)C | | InChi: | InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1 | | Synonyms: | N-BENZYLOXYCARBONYL-L-SERINE-BETALACTONE | | Definition date: | 2005-07-07 | | Last modified: | 2024-09-27 | | Identifier: | N-[(benzyloxy)carbonyl]-L-alanine |
|
 | | QTU | | Name: | 3-(thiophen-2-yl)propanoic acid | | Formula: | C7 H8 O2 S | | SMILES: | C(CCc1cccs1)(=O)O | | InChi: | InChI=1S/C7H8O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9) | | Definition date: | 2020-09-13 | | Last modified: | 2024-09-27 | | Release date: | 2021-10-06 | | Identifier: | 3-(thiophen-2-yl)propanoic acid |
|
 | | BBR | | Name: | (3-bromo-2-oxo-propoxy)phosphonic acid | | Formula: | C3 H6 Br O5 P | | SMILES: | O=P(O)(O)OCC(=O)CBr | | InChi: | InChI=1S/C3H6BrO5P/c4-1-3(5)2-9-10(6,7)8/h1-2H2,(H2,6,7,8) | | Definition date: | 2007-10-25 | | Last modified: | 2024-09-27 | | Identifier: | 3-bromo-2-oxopropyl dihydrogen phosphate |
|
 | | BBS | | Name: | 4-TERT-BUTYLBENZENESULFONIC ACID | | Formula: | C10 H14 O3 S | | SMILES: | O=S(=O)(O)c1ccc(cc1)C(C)(C)C | | InChi: | InChI=1S/C10H14O3S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H,11,12,13) | | Definition date: | 2000-03-31 | | Last modified: | 2024-09-27 | | Identifier: | 4-tert-butylbenzenesulfonic acid |
|
 | | QU5 | | Name: | 4-methoxycyclohexa-2,5-diene-1-thione | | Formula: | C7 H10 O S | | SMILES: | CO[CH]1C=C[CH](S)C=C1 | | InChi: | InChI=1S/C7H10OS/c1-8-6-2-4-7(9)5-3-6/h2-7,9H,1H3/t6-,7+ | | Definition date: | 2020-08-11 | | Last modified: | 2024-09-27 | | Release date: | 2021-04-21 | | Identifier: | 4-methoxycyclohexa-2,5-diene-1-thiol |
|
 | | QU8 | | Name: | ~{N}-(4-methoxyphenyl)methanamide | | Formula: | C8 H9 N O2 | | SMILES: | COc1ccc(NC=O)cc1 | | InChi: | InChI=1S/C8H9NO2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-6H,1H3,(H,9,10) | | Definition date: | 2020-08-11 | | Last modified: | 2024-09-27 | | Release date: | 2021-12-01 | | Identifier: | ~{N}-(4-methoxyphenyl)methanamide |
|
 | | QUA | | Name: | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-2-CARBOXYLIC ACID | | Formula: | C12 H13 N O4 | | SMILES: | O=C(O)c1nc2c(c(c1)C(O)C)C=CCC2O | | InChi: | InChI=1S/C12H13NO4/c1-6(14)8-5-9(12(16)17)13-11-7(8)3-2-4-10(11)15/h2-3,5-6,10,14-15H,4H2,1H3,(H,16,17)/t6-,10-/m0/s1 | | Definition date: | 2000-11-02 | | Last modified: | 2024-09-27 | | Identifier: | (8S)-8-hydroxy-4-[(1S)-1-hydroxyethyl]-7,8-dihydroquinoline-2-carboxylic acid |
|
 | | QUI | | Name: | 2-CARBOXYQUINOXALINE | | Formula: | C9 H6 N2 O2 | | SMILES: | O=C(O)c1nc2ccccc2nc1 | | InChi: | InChI=1S/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | quinoxaline-2-carboxylic acid |
|
 | | QUJ | | Name: | 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid | | Formula: | C14 H16 N2 O3 | | SMILES: | CC(C)COc1cc(nc2c(N)cccc12)C(O)=O | | InChi: | InChI=1S/C14H16N2O3/c1-8(2)7-19-12-6-11(14(17)18)16-13-9(12)4-3-5-10(13)15/h3-6,8H,7,15H2,1-2H3,(H,17,18) | | Definition date: | 2016-05-24 | | Last modified: | 2024-09-27 | | Release date: | 2017-03-01 | | Identifier: | 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid |
|
 | | QUK | | Name: | 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid | | Formula: | C13 H15 N3 O3 | | SMILES: | NCCCOc1cc(nc2c(N)cccc12)C(O)=O | | InChi: | InChI=1S/C13H15N3O3/c14-5-2-6-19-11-7-10(13(17)18)16-12-8(11)3-1-4-9(12)15/h1,3-4,7H,2,5-6,14-15H2,(H,17,18) | | Definition date: | 2016-05-24 | | Last modified: | 2024-09-27 | | Release date: | 2017-03-01 | | Identifier: | 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid |
|
 | | QUM | | Name: | QUINACRINE MUSTARD | | Formula: | C23 H28 Cl3 N3 O | | SMILES: | ClCCN(CCCl)CCCC(/N=C2c1c(ccc(OC)c1)Nc3c2ccc(Cl)c3)C | | InChi: | InChI=1S/C23H28Cl3N3O/c1-16(4-3-11-29(12-9-24)13-10-25)27-23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,27,28)/t16-/m0/s1 | | Synonyms: | N-{(1S)-4-[BIS(2-CHLOROETHYL)AMINO]-1-METHYLBUTYL}-N-(6-CHLORO-2-METHOXY-9-ACRIDINYL)AMINE | | Definition date: | 2002-04-04 | | Last modified: | 2024-09-27 | | Identifier: | (4S)-N~1~,N~1~-bis(2-chloroethyl)-N~4~-[(9Z)-6-chloro-2-methoxyacridin-9(10H)-ylidene]pentane-1,4-diamine |
|
 | | BCQ | | Name: | N-[(1R)-1-[({[(5S)-3,5-DIMETHYL-2,5-DIHYDROISOXAZOL-4-YL]METHYL}SULFONYL)METHYL]-2-OXO-2-({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)ETHYL]MORPHOLINE-4-CARBOXAMIDE | | Formula: | C31 H42 N4 O8 S2 | | SMILES: | O=S(=O)(CC1=C(NOC1C)C)CC(C(=O)NC(CCS(=O)(=O)c2ccccc2)CCc3ccccc3)NC(=O)N4CCOCC4 | | InChi: | InChI=1S/C31H42N4O8S2/c1-23-28(24(2)43-34-23)21-44(38,39)22-29(33-31(37)35-16-18-42-19-17-35)30(36)32-26(14-13-25-9-5-3-6-10-25)15-20-45(40,41)27-11-7-4-8-12-27/h3-12,24,26,29,34H,13-22H2,1-2H3,(H,32,36)(H,33,37)/t24-,26-,29-/m0/s1 | | Definition date: | 2006-02-08 | | Last modified: | 2024-09-27 | | Identifier: | N-[(1R)-1-[({[(5S)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]methyl}sulfonyl)methyl]-2-oxo-2-({(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)ethyl]morpholine-4-carboxamide |
|
 | | BCS | | Name: | BENZYLCYSTEINE | | Formula: | C10 H13 N O2 S | | SMILES: | O=C(O)C(N)CSCc1ccccc1 | | InChi: | InChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | S-benzyl-L-cysteine |
|
 | | BCT | | Name: | BICARBONATE ION | | Formula: | C H O3 | | SMILES: | [O-]C(=O)O | | InChi: | InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | hydrogen carbonate |
|
 | | BCX | | Name: | (3R)-3-amino-4-sulfanylbutanoic acid | | Formula: | C4 H9 N O2 S | | SMILES: | O=C(O)CC(N)CS | | InChi: | InChI=1S/C4H9NO2S/c5-3(2-8)1-4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1 | | Definition date: | 2001-06-05 | | Last modified: | 2024-09-27 | | Identifier: | (3R)-3-amino-4-sulfanylbutanoic acid |
|
 | | BD1 | | Name: | 3A,4,7,7A-TETRAHYDRO-BENZO [1,3] DIOXOL-2-ONE | | Formula: | C7 H10 O3 | | SMILES: | O1C2CC=CCC2OC1O | | InChi: | InChI=1S/C7H10O3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-2,5-8H,3-4H2/t5-,6+,7+ | | Definition date: | 2003-03-14 | | Last modified: | 2024-09-27 | | Identifier: | (2r,3aR,7aS)-3a,4,7,7a-tetrahydro-1,3-benzodioxol-2-ol |
|
