 | | MK8 | | Name: | 2-methyl-L-norleucine | | Formula: | C7 H15 N O2 | | SMILES: | O=C(O)C(N)(CCCC)C | | InChi: | InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1 | | Definition date: | 2010-04-16 | | Last modified: | 2023-11-03 | | Identifier: | 2-methyl-L-norleucine |
|
 | | B3M | | Name: | (3R)-3-amino-5-(methylsulfanyl)pentanoic acid | | Formula: | C6 H13 N O2 S | | SMILES: | O=C(O)CC(N)CCSC | | InChi: | InChI=1S/C6H13NO2S/c1-10-3-2-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 | | Definition date: | 2008-11-19 | | Last modified: | 2023-11-03 | | Identifier: | (3R)-3-amino-5-(methylsulfanyl)pentanoic acid |
|
 | | HY3 | | Name: | 3-HYDROXYPROLINE | | Formula: | C5 H9 N O3 | | SMILES: | O=C(O)C1NCCC1O | | InChi: | InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1 | | Synonyms: | (2S,3S)-3-hydroxypyrrolidine-2-carboxylic acid | | Definition date: | 2006-03-22 | | Last modified: | 2023-11-03 | | Identifier: | (3S)-3-hydroxy-L-proline |
|
 | | HZP | | Name: | (4S)-4-hydroxy-L-proline | | Formula: | C5 H9 N O3 | | SMILES: | O=C(O)C1NCC(O)C1 | | InChi: | InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1 | | Definition date: | 2009-04-16 | | Last modified: | 2023-11-03 | | Identifier: | (4S)-4-hydroxy-L-proline |
|
 | | ELY | | Name: | N~6~,N~6~-diethyl-L-lysine | | Formula: | C10 H22 N2 O2 | | SMILES: | C(=O)(C(N)CCCCN(CC)CC)O | | InChi: | InChI=1S/C10H22N2O2/c1-3-12(4-2)8-6-5-7-9(11)10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1 | | Synonyms: | (2S)-2-azanyl-6-(diethylamino)hexanoic acid | | Definition date: | 2011-03-25 | | Last modified: | 2023-11-03 | | Identifier: | N~6~,N~6~-diethyl-L-lysine |
|
 | | LYF | | Name: | (2E,4S)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid | | Formula: | C13 H22 N2 O7 | | SMILES: | O=C(O)C(N)CCCC/N=C(/C(=O)O)CC(O)CCC(=O)O | | InChi: | InChI=1S/C13H22N2O7/c14-9(12(19)20)3-1-2-6-15-10(13(21)22)7-8(16)4-5-11(17)18/h8-9,16H,1-7,14H2,(H,17,18)(H,19,20)(H,21,22)/b15-10+/t8-,9-/m0/s1 | | Definition date: | 2011-10-25 | | Last modified: | 2023-11-03 | | Identifier: | (2E,4S)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid |
|
 | | LYJ | | Name: | (2S)-2,6-diaminohexan-1-ol | | Formula: | C6 H16 N2 O | | SMILES: | OCC(N)CCCCN | | InChi: | InChI=1S/C6H16N2O/c7-4-2-1-3-6(8)5-9/h6,9H,1-5,7-8H2/t6-/m0/s1 | | Definition date: | 2012-01-18 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2,6-diaminohexan-1-ol |
|
 | | LYK | | Name: | (2S)-2,6-diaminohexane-1,1-diol | | Formula: | C6 H16 N2 O2 | | SMILES: | OC(O)C(N)CCCCN | | InChi: | InChI=1S/C6H16N2O2/c7-4-2-1-3-5(8)6(9)10/h5-6,9-10H,1-4,7-8H2/t5-/m0/s1 | | Definition date: | 2010-10-08 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2,6-diaminohexane-1,1-diol |
|
 | | M2L | | Name: | (2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid | | Formula: | C7 H16 N2 O2 S | | SMILES: | O=C(O)C(N)CSCCN(C)C | | InChi: | InChI=1S/C7H16N2O2S/c1-9(2)3-4-12-5-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m0/s1 | | Definition date: | 2008-04-09 | | Last modified: | 2023-11-03 | | Identifier: | S-[2-(dimethylamino)ethyl]-L-cysteine |
|
 | | DNG | | Name: | N-FORMYL-D-NORLEUCINE | | Formula: | C7 H13 N O3 | | SMILES: | O=CNC(C(=O)O)CCCC | | InChi: | InChI=1S/C7H13NO3/c1-2-3-4-6(7(10)11)8-5-9/h5-6H,2-4H2,1H3,(H,8,9)(H,10,11)/t6-/m1/s1 | | Definition date: | 2004-01-27 | | Last modified: | 2023-11-03 | | Identifier: | N-formyl-D-norleucine |
|
 | | DNM | | Name: | N-methyl-D-norleucine | | Formula: | C7 H15 N O2 | | SMILES: | C(C(NC)CCCC)(=O)O | | InChi: | InChI=1S/C7H15NO2/c1-3-4-5-6(8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m1/s1 | | Definition date: | 2003-11-17 | | Last modified: | 2023-11-03 | | Identifier: | N-methyl-D-norleucine |
|
 | | MP8 | | Name: | (4R)-4-methyl-L-proline | | Formula: | C6 H11 N O2 | | SMILES: | O=C(O)C1NCC(C)C1 | | InChi: | InChI=1S/C6H11NO2/c1-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1 | | Definition date: | 2009-08-18 | | Last modified: | 2023-11-03 | | Identifier: | (4R)-4-methyl-L-proline |
|
 | | 0AR | | Name: | N-[N-[(4S)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide | | Formula: | C8 H16 N4 O3 | | SMILES: | O=C(O)C(N)CCCNC(=[N@H])NC(=O)C | | InChi: | InChI=1S/C8H16N4O3/c1-5(13)12-8(10)11-4-2-3-6(9)7(14)15/h6H,2-4,9H2,1H3,(H,14,15)(H3,10,11,12,13)/t6-/m0/s1 | | Definition date: | 2009-07-10 | | Last modified: | 2023-11-03 | | Identifier: | N~5~-(N-acetylcarbamimidoyl)-L-ornithine |
|
 | | PDF | | Name: | 4,4-difluoro-L-proline | | Formula: | C5 H7 F2 N O2 | | SMILES: | O=C(O)C1NCC(F)(F)C1 | | InChi: | InChI=1S/C5H7F2NO2/c6-5(7)1-3(4(9)10)8-2-5/h3,8H,1-2H2,(H,9,10)/t3-/m0/s1 | | Definition date: | 2008-10-07 | | Last modified: | 2023-11-03 | | Release date: | 2015-06-17 | | Identifier: | 4,4-difluoro-L-proline |
|
 | | QDI | | Name: | 6-fluoroquinolin-4-amine | | Formula: | C9 H7 F N2 | | SMILES: | Fc1ccc2nccc(N)c2c1 | | InChi: | InChI=1S/C9H7FN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,(H2,11,12) | | Definition date: | 2022-06-07 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 6-fluoroquinolin-4-amine |
|
 | | DM0 | | Name: | N~2~,N~2~,N~6~,N~6~-tetramethyl-L-lysine | | Formula: | C10 H22 N2 O2 | | SMILES: | O=C(O)C(N(C)C)CCCCN(C)C | | InChi: | InChI=1S/C10H22N2O2/c1-11(2)8-6-5-7-9(10(13)14)12(3)4/h9H,5-8H2,1-4H3,(H,13,14)/t9-/m0/s1 | | Definition date: | 2008-03-25 | | Last modified: | 2023-11-03 | | Identifier: | N~2~,N~2~,N~6~,N~6~-tetramethyl-L-lysine |
|
 | | JE5 | | Name: | 8-[[4-[2-[2-[2-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]sulfonylamino]-~{N}-(cyclohexylmethyl)-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide | | Formula: | C32 H40 F N6 O9 S | | SMILES: | Fc1cc(N[S](=O)(=O)c2ccc(cc2)C(=O)NCCOCCOCCOCCN=[N+]=N)c3OC(=CC(=O)c3c1)C(=O)NCC4CCCCC4 | | InChi: | InChI=1S/C32H39FN6O9S/c33-24-18-26-28(40)20-29(32(42)36-21-22-4-2-1-3-5-22)48-30(26)27(19-24)38-49(43,44)25-8-6-23(7-9-25)31(41)35-10-12-45-14-16-47-17-15-46-13-11-37-39-34/h6-9,18-20,22,34,38H,1-5,10-17,21H2,(H-,35,36,41,42)/p+1 | | Definition date: | 2022-04-26 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | azanylidene-[2-[2-[2-[2-[[4-[[2-(cyclohexylmethylcarbamoyl)-6-fluoranyl-4-oxidanylidene-chromen-8-yl]sulfamoyl]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]ethylimino]azanium |
|
 | | GII | | Name: | (2R,3R,4R,5S)-1-[6-(4-azido-2-nitroanilino)hexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol | | Formula: | C18 H28 N6 O6 | | SMILES: | [O-][N+](=O)c1cc(N=[N+]=[N-])ccc1NCCCCCCN1CC(O)C(O)C(O)C1CO | | InChi: | InChI=1S/C18H28N6O6/c19-22-21-12-5-6-13(14(9-12)24(29)30)20-7-3-1-2-4-8-23-10-16(26)18(28)17(27)15(23)11-25/h5-6,9,15-18,20,25-28H,1-4,7-8,10-11H2/t15-,16+,17-,18-/m1/s1 | | Definition date: | 2021-12-24 | | Last modified: | 2022-04-29 | | Release date: | 2022-05-04 | | Identifier: | (2R,3R,4R,5S)-1-[6-(4-azido-2-nitroanilino)hexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol |
|
 | | B5J | | Name: | methyltriphenylphosphonium | | Formula: | C19 H18 P | | SMILES: | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 | | InChi: | InChI=1S/C19H18P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3/q+1 | | Definition date: | 2021-11-12 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | methyl(triphenyl)phosphanium |
|
 | | DWZ | | Name: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid | | Formula: | C17 H27 N3 O5 S | | SMILES: | CN(C)C(=O)C1CC(SC2C(C)C(N=C2C(=O)O)C(C=O)C(C)O)CN1 | | InChi: | InChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,15,18,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10+,11-,12+,13-,15+/m1/s1 | | Synonyms: | Meropenem, bound form | | Definition date: | 2008-07-25 | | Last modified: | 2022-01-27 | | Identifier: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid |
|
 | | 4SW | | Name: | (2~{S})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine | | Formula: | C9 H21 N O3 | | SMILES: | COCCOC[CH](C)OC[CH](C)N | | InChi: | InChI=1S/C9H21NO3/c1-8(10)6-13-9(2)7-12-5-4-11-3/h8-9H,4-7,10H2,1-3H3/t8-,9+/m0/s1 | | Definition date: | 2021-07-07 | | Last modified: | 2021-11-26 | | Release date: | 2021-12-01 | | Identifier: | (2~{S})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine |
|
 | | QGJ | | Name: | 1-(2-deoxy-5-O-phosphono-beta-D-threo-pentofuranosyl)-2,4-dioxo-N-(3-phenylpropyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide | | Formula: | C19 H24 N3 O9 P | | SMILES: | C1(CC(C(COP(=O)(O)O)O1)O)N2C(=O)NC(C(=C2)C(NCCCc3ccccc3)=O)=O | | InChi: | InChI=1S/C19H24N3O9P/c23-14-9-16(31-15(14)11-30-32(27,28)29)22-10-13(18(25)21-19(22)26)17(24)20-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10,14-16,23H,4,7-9,11H2,(H,20,24)(H,21,25,26)(H2,27,28,29)/t14-,15-,16-/m1/s1 | | Definition date: | 2019-10-28 | | Last modified: | 2021-10-29 | | Release date: | 2021-11-03 | | Identifier: | 1-(2-deoxy-5-O-phosphono-beta-D-threo-pentofuranosyl)-2,4-dioxo-N-(3-phenylpropyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide |
|
 | | OYK | | Name: | ~{N},9-dimethylpurin-6-amine | | Formula: | C7 H9 N5 | | SMILES: | CNc1ncnc2n(C)cnc12 | | InChi: | InChI=1S/C7H9N5/c1-8-6-5-7(10-3-9-6)12(2)4-11-5/h3-4H,1-2H3,(H,8,9,10) | | Definition date: | 2020-04-08 | | Last modified: | 2021-04-09 | | Release date: | 2021-04-14 | | Identifier: | ~{N},9-dimethylpurin-6-amine |
|
 | | EBN | | Name: | (S)-6-amino-N-((S)-6-amino-1-(((1r,4S)-4-guanidinocyclohexyl)methylamino)-1-oxohexan-2-yl)-2-(2-(3,4-dichlorophenyl)acetamido)hexanamide | | Formula: | C28 H46 Cl2 N8 O3 | | SMILES: | Clc1ccc(cc1Cl)CC(=O)NC(C(=O)NC(C(=O)NCC2CCC(NC(=[N@H])N)CC2)CCCCN)CCCCN | | InChi: | InChI=1S/C28H46Cl2N8O3/c29-21-12-9-19(15-22(21)30)16-25(39)37-24(6-2-4-14-32)27(41)38-23(5-1-3-13-31)26(40)35-17-18-7-10-20(11-8-18)36-28(33)34/h9,12,15,18,20,23-24H,1-8,10-11,13-14,16-17,31-32H2,(H,35,40)(H,37,39)(H,38,41)(H4,33,34,36)/t18-,20-,23-,24-/m0/s1 | | Synonyms: | 3,4-dichlorophenylacetyl-Lys-Lys-GCMA | | Definition date: | 2012-10-26 | | Last modified: | 2021-03-13 | | Release date: | 2013-03-27 | | Identifier: | N~2~-[(3,4-dichlorophenyl)acetyl]-L-lysyl-N-[(trans-4-carbamimidamidocyclohexyl)methyl]-L-lysinamide |
|
 | | 1RG | | Name: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid | | Formula: | C22 H27 N3 O7 S | | SMILES: | O=C(O)c1cc(ccc1)NC(=O)C3NCC(SC2=C(C(=O)O)NC(C2C)C(C=O)C(O)C)C3 | | InChi: | InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-17,23,25,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14+,15-,16+,17-/m1/s1 | | Synonyms: | ERTAPENEM, bound form PRE-ISOMERIZED | | Definition date: | 2009-10-19 | | Last modified: | 2021-03-13 | | Identifier: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
|
