 | | CD8 | | Name: | (2R)-2-[(1S)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | | Formula: | C16 H16 N2 O5 S | | SMILES: | O=CC(OC)(NC(=O)c1ccccc1)C2N=C(C(=O)O)C(=C)CS2 | | InChi: | InChI=1S/C16H16N2O5S/c1-10-8-24-15(17-12(10)14(21)22)16(9-19,23-2)18-13(20)11-6-4-3-5-7-11/h3-7,9,15H,1,8H2,2H3,(H,18,20)(H,21,22)/t15-,16+/m1/s1 | | Definition date: | 2012-01-12 | | Last modified: | 2024-09-27 | | Release date: | 2012-09-14 | | Identifier: | (2R)-2-[(1S)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
|
 | | CDE | | Name: | 1,2-DIMETHYL-PROPYLAMINE | | Formula: | C5 H13 N | | SMILES: | NC(C)C(C)C | | InChi: | InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3/t5-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-3-methylbutan-2-amine |
|
 | | 4EM | | Name: | (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(1H-pyrrol-2-ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl dihydrogen phosphate | | Formula: | C16 H27 N4 O8 P | | SMILES: | P(OCC(C(C(NCCC(=O)NCCNC(=O)c1cccn1)=O)O)(C)C)(O)(O)=O | | InChi: | InChI=1S/C16H27N4O8P/c1-16(2,10-28-29(25,26)27)13(22)15(24)19-7-5-12(21)18-8-9-20-14(23)11-4-3-6-17-11/h3-4,6,13,17,22H,5,7-10H2,1-2H3,(H,18,21)(H,19,24)(H,20,23)(H2,25,26,27)/t13-/m0/s1 | | Definition date: | 2015-07-21 | | Last modified: | 2024-09-27 | | Release date: | 2015-09-16 | | Identifier: | (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(1H-pyrrol-2-ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl dihydrogen phosphate |
|
 | | CDS | | Name: | (2R)-2-[(1R)-1-{[(2Z)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ACETYL]AMINO}-2-OXOETHYL]-5-[(Z)-2-(4-METHYL-1,3-THIAZOL-5-YL)VINYL]-3,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID | | Formula: | C19 H20 N6 O5 S3 | | SMILES: | O=CC(NC(=O)/C(=NOC)c1nc(sc1)N)C2SCC(=C(N2)C(=O)O)/C=Cc3scnc3C | | InChi: | InChI=1S/C19H20N6O5S3/c1-9-13(33-8-21-9)4-3-10-6-31-17(24-14(10)18(28)29)11(5-26)22-16(27)15(25-30-2)12-7-32-19(20)23-12/h3-5,7-8,11,17,24H,6H2,1-2H3,(H2,20,23)(H,22,27)(H,28,29)/b4-3-,25-15-/t11-,17-/m1/s1 | | Definition date: | 2007-05-29 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
|
 | | 4EY | | Name: | 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium | | Formula: | C12 H15 N O8 P S2 | | SMILES: | O=C(S)c1cc(c[n+](c1)C1OC(COP(=O)(O)O)C(O)C1O)C=S | | InChi: | InChI=1S/C12H14NO8PS2/c14-9-8(4-20-22(17,18)19)21-11(10(9)15)13-2-6(5-23)1-7(3-13)12(16)24/h1-3,5,8-11,14-15H,4H2,(H2-,16,17,18,19,24)/p+1/t8-,9-,10-,11-/m1/s1 | | Synonyms: | Dithiodinicotinic acid mononucleotide | | Definition date: | 2015-03-13 | | Last modified: | 2024-09-27 | | Release date: | 2015-07-15 | | Identifier: | 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium |
|
 | | 4F3 | | Name: | [2-(1-AMINO-2-HYDROXY-PROPYL)-4-(4-FLUORO-1H-INDOL-3-YLMETHYL)-5-HYDROXY-IMIDAZOL-1-YL]-ACETIC ACID | | Formula: | C17 H19 F N4 O4 | | SMILES: | O=C(O)Cn1c(O)c(nc1C(N)C(O)C)Cc3c2c(F)cccc2nc3 | | InChi: | InChI=1S/C17H19FN4O4/c1-8(23)15(19)16-21-12(17(26)22(16)7-13(24)25)5-9-6-20-11-4-2-3-10(18)14(9)11/h2-4,6,8,15,20,23,26H,5,7,19H2,1H3,(H,24,25)/t8-,15-/m0/s1 | | Definition date: | 2003-12-16 | | Last modified: | 2024-09-27 | | Identifier: | {2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-[(4-fluoro-1H-indol-3-yl)methyl]-5-hydroxy-1H-imidazol-1-yl}acetic acid |
|
 | | CE7 | | Name: | (3S)-3-amino-4,4,4-trihydroxybutanamide | | Formula: | C4 H10 N2 O4 | | SMILES: | C(C(N)=O)C(N)C(O)(O)O | | InChi: | InChI=1S/C4H10N2O4/c5-2(1-3(6)7)4(8,9)10/h2,8-10H,1,5H2,(H2,6,7)/t2-/m0/s1 | | Definition date: | 2017-09-20 | | Last modified: | 2024-09-27 | | Release date: | 2018-02-07 | | Identifier: | (3S)-3-amino-4,4,4-trihydroxybutanamide |
|
 | | 4FB | | Name: | (4S)-4-FLUORO-L-PROLINE | | Formula: | C5 H8 F N O2 | | SMILES: | O=C(O)C1NCC(F)C1 | | InChi: | InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4-/m0/s1 | | Definition date: | 2007-06-06 | | Last modified: | 2024-09-27 | | Identifier: | (4S)-4-fluoro-L-proline |
|
 | | CED | | Name: | 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID | | Formula: | C14 H16 N2 O4 S2 | | SMILES: | O=CC(NC(=O)Cc1sccc1)C2SCC(=C(C(=O)O)N2)C | | InChi: | InChI=1S/C14H16N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13,16H,5,7H2,1H3,(H,15,18)(H,19,20)/t10-,13-/m1/s1 | | Synonyms: | DEGRADED CEPHALORIDINE, open form | | Definition date: | 2000-12-20 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-5-methyl-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
|
 | | CEF | | Name: | CEFOTAXIME, C3' cleaved, open, bound form | | Formula: | C14 H15 N5 O5 S2 | | SMILES: | CON=C(C(=O)N[CH](C=O)[CH]1SCC(=C)C(=N1)C(O)=O)c2csc(N)n2 | | InChi: | InChI=1S/C14H15N5O5S2/c1-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24-2)8-5-26-14(15)17-8/h3,5,7,12H,1,4H2,2H3,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t7-,12-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-[1-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanylidene-ethyl]-5-methylidene-2H-1,3-thiazine-4-carboxylic acid |
|
 | | CEH | | Name: | 5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBOXY-BUTYRYLAMINO)-3-[1-(R)-(1-(R)-CARBOXY-ETHYLCARBAMOYL)-ETHYLCARBAMOYL]-PROPYL}-2-(
CARBOXY-PHENYLACETYLAMINO-METHYL)-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID | | Formula: | C32 H42 N6 O13 S | | SMILES: | O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)CCC(C(=O)O)NC(=O)C)CCC1=C(NC(SC1)C(NC(=O)Cc2ccccc2)C(=O)O)C(=O)O)C)C | | InChi: | InChI=1S/C32H42N6O13S/c1-15(26(42)34-16(2)29(44)45)33-27(43)20(36-22(40)12-11-21(30(46)47)35-17(3)39)10-9-19-14-52-28(38-24(19)31(48)49)25(32(50)51)37-23(41)13-18-7-5-4-6-8-18/h4-8,15-16,20-21,25,28,38H,9-14H2,1-3H3,(H,33,43)(H,34,42)(H,35,39)(H,36,40)(H,37,41)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/t15-,16-,20+,21-,25+,28-/m1/s1 | | Synonyms: | CEPHALOSPORIN ANALOG | | Definition date: | 2001-01-09 | | Last modified: | 2024-09-27 | | Identifier: | N-{(2S)-2-[(N-acetyl-D-gamma-glutamyl)amino]-4-[(2R)-4-carboxy-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-3,6-dihydro-2H-1,3-thiazin-5-yl]butanoyl}-D-alanyl-D-alanine |
|
 | | CEM | | Name: | N-(1-CARBOXY-2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-CISPROPENYL)AMINE | | Formula: | C8 H11 N O5 | | SMILES: | O=CCC(O)C(NC=C/C=O)C(=O)O | | InChi: | InChI=1S/C8H11NO5/c10-4-1-3-9-7(8(13)14)6(12)2-5-11/h1,3-7,9,12H,2H2,(H,13,14)/b3-1-/t6-,7+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-hydroxy-5-oxo-N-[(1Z)-3-oxoprop-1-en-1-yl]-D-norvaline |
|
 | | CEO | | Name: | 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID | | Formula: | C14 H14 N2 O4 S2 | | SMILES: | O=CC(NC(=O)Cc1sccc1)C2N=C(C(=C)CS2)C(=O)O | | InChi: | InChI=1S/C14H14N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13H,1,5,7H2,(H,15,18)(H,19,20)/t10-,13-/m1/s1 | | Synonyms: | HYDROLYZED CEPHALOTHIN | | Definition date: | 2002-02-11 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-5-methylidene-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
|
 | | 4FO | | Name: | (2R)-2,4-diaminobutanoic acid | | Formula: | C4 H10 N2 O2 | | SMILES: | NC(CCN)C(=O)O | | InChi: | InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m1/s1 | | Definition date: | 2015-08-03 | | Last modified: | 2024-09-27 | | Release date: | 2016-09-21 | | Identifier: | (2R)-2,4-diaminobutanoic acid |
|
 | | CEP | | Name: | CEPHALOTHIN GROUP | | Formula: | C16 H18 N2 O6 S2 | | SMILES: | O=C(OC)CC1=C(NC(SC1)C(NC(=O)Cc2sccc2)C=O)C(=O)O | | InChi: | InChI=1S/C16H18N2O6S2/c1-24-13(21)5-9-8-26-15(18-14(9)16(22)23)11(7-19)17-12(20)6-10-3-2-4-25-10/h2-4,7,11,15,18H,5-6,8H2,1H3,(H,17,20)(H,22,23)/t11-,15-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-5-(2-methoxy-2-oxoethyl)-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
|
 | | CER | | Name: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE | | Formula: | C12 H19 N O3 | | SMILES: | O=C(N)CC(O)C(=O)CC/C=C/C/C=C/C | | InChi: | InChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-10(14)11(15)9-12(13)16/h2-3,5-6,11,15H,4,7-9H2,1H3,(H2,13,16)/b3-2+,6-5+/t11-/m0/s1 | | Synonyms: | CERULENIN | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (3S,7E,10E)-3-hydroxy-4-oxododeca-7,10-dienamide |
|
 | | CES | | Name: | 2-[CARBOXY-(2-FURAN-2-YL-2-METHOXYIMINO-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID | | Formula: | C15 H17 N3 O7 S | | SMILES: | O=C(O)C(NC(=O)/C(=NOC)c1occc1)C2SCC(=C(N2)C(=O)O)C | | InChi: | InChI=1S/C15H17N3O7S/c1-7-6-26-13(17-9(7)14(20)21)11(15(22)23)16-12(19)10(18-24-2)8-4-3-5-25-8/h3-5,11,13,17H,6H2,1-2H3,(H,16,19)(H,20,21)(H,22,23)/b18-10-/t11-,13+/m0/s1 | | Synonyms: | CEFUROXIME (INHIBITION FORM) | | Definition date: | 1999-10-06 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-2-[(R)-carboxy{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
|
 | | CEV | | Name: | ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | | Formula: | C11 H20 N2 O3 | | SMILES: | O=C1NCCC1CC(N)CCC(=O)OCC | | InChi: | InChI=1S/C11H20N2O3/c1-2-16-10(14)4-3-9(12)7-8-5-6-13-11(8)15/h8-9H,2-7,12H2,1H3,(H,13,15)/t8-,9+/m0/s1 | | Definition date: | 2012-04-05 | | Last modified: | 2024-09-27 | | Identifier: | ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate |
|
 | | 4FU | | Name: | (1R,2S)-cyclohexane-1,2-dicarboxylic acid | | Formula: | C8 H12 O4 | | SMILES: | C(=O)(O)C1C(CCCC1)C(O)=O | | InChi: | InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6+ | | Definition date: | 2015-08-04 | | Last modified: | 2024-09-27 | | Release date: | 2015-10-28 | | Identifier: | (1R,2S)-cyclohexane-1,2-dicarboxylic acid |
|
 | | 4FW | | Name: | 4-FLUOROTRYPTOPHANE | | Formula: | C11 H11 F N2 O2 | | SMILES: | O=C(O)C(N)Cc2c1c(F)cccc1nc2 | | InChi: | InChI=1S/C11H11FN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)/t8-/m0/s1 | | Definition date: | 2003-12-16 | | Last modified: | 2024-09-27 | | Identifier: | 4-fluoro-L-tryptophan |
|
 | | CF0 | | Name: | fluoromethane | | Formula: | C H3 F | | SMILES: | FC | | InChi: | InChI=1S/CH3F/c1-2/h1H3 | | Synonyms: | Fluoro methyl group | | Definition date: | 2009-01-06 | | Last modified: | 2024-09-27 | | Identifier: | fluoromethane |
|
 | | 4G6 | | Name: | 2-methylpropane-1,2-diamine | | Formula: | C4 H12 N2 | | SMILES: | CC(C)(N)CN | | InChi: | InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3 | | Definition date: | 2015-08-04 | | Last modified: | 2024-09-27 | | Release date: | 2015-10-28 | | Identifier: | 2-methylpropane-1,2-diamine |
|
 | | 4G9 | | Name: | 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide | | Formula: | C10 H12 Cl2 N2 O3 S | | SMILES: | Clc1c(cc(cc1)NC(=O)CCl)S(=O)(N(C)C)=O | | InChi: | InChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15) | | Definition date: | 2015-03-17 | | Last modified: | 2024-09-27 | | Release date: | 2016-10-12 | | Identifier: | 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide |
|
 | | 4GB | | Name: | N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide | | Formula: | C17 H26 N2 O4 S2 | | SMILES: | O=S(c1ccc(OCSCC)c(c1)NC(=O)C)(=O)N2CCCCCC2 | | InChi: | InChI=1S/C17H26N2O4S2/c1-3-24-13-23-17-9-8-15(12-16(17)18-14(2)20)25(21,22)19-10-6-4-5-7-11-19/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,18,20) | | Definition date: | 2015-03-17 | | Last modified: | 2024-09-27 | | Release date: | 2016-10-12 | | Identifier: | N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide |
|
 | | CFD | | Name: | (2R,3E,5R)-5-amino-2,4-dimethylhex-3-enal | | Formula: | C8 H15 N O2 | | SMILES: | O=CC(C=C(/C)C(N)C)C | | InChi: | InChI=1S/C8H15NO2/c1-5(7(3)9)4-6(2)8(10)11/h4,6-7H,9H2,1-3H3,(H,10,11)/b5-4+/t6-,7-/m1/s1 | | Definition date: | 2008-12-17 | | Last modified: | 2024-09-27 | | Identifier: | (2R,3E,5R)-5-amino-2,4-dimethylhex-3-enal |
|
