 | | RE1 | | Name: | GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE | | Formula: | C11 H21 N3 O7 P | | SMILES: | [O-]P(=O)(O)C(NC(=O)CCCCC(C([O-])=O)NC(=O)C[NH3+])C | | InChi: | InChI=1S/C11H22N3O7P/c1-7(22(19,20)21)13-9(15)5-3-2-4-8(11(17)18)14-10(16)6-12/h7-8H,2-6,12H2,1H3,(H,13,15)(H,14,16)(H,17,18)(H2,19,20,21)/p-1/t7-,8-/m0/s1 | | Definition date: | 2002-10-15 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-[(ammonioacetyl)amino]-7-{[(1S)-1-(hydroxyphosphinato)ethyl]amino}-7-oxoheptanoate |
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 | | VV8 | | Name: | 3-(cyclooctylamino)-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide | | Formula: | C16 H23 F3 N2 O4 S2 | | SMILES: | CC[S](=O)(=O)c1c(F)c(F)c(c(F)c1NC2CCCCCCC2)[S](N)(=O)=O | | InChi: | InChI=1S/C16H23F3N2O4S2/c1-2-26(22,23)16-12(18)11(17)15(27(20,24)25)13(19)14(16)21-10-8-6-4-3-5-7-9-10/h10,21H,2-9H2,1H3,(H2,20,24,25) | | Definition date: | 2023-04-05 | | Last modified: | 2024-09-27 | | Release date: | 2024-04-10 | | Identifier: | 3-(cyclooctylamino)-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide |
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 | | RE3 | | Name: | 3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine | | Formula: | C11 H12 N2 O4 | | SMILES: | O=C(O)C(N)CC2(O)c1ccccc1NC2=O | | InChi: | InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11-/m0/s1 | | Definition date: | 2011-02-03 | | Last modified: | 2024-09-27 | | Identifier: | 3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine |
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 | | Y48 | | Name: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid | | Formula: | C21 H28 F3 N3 O8 S | | SMILES: | CC(C)CC(NC(=O)OCc1cc(F)c(F)cc1F)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C21H28F3N3O8S/c1-10(2)5-16(27-21(31)35-9-12-6-14(23)15(24)8-13(12)22)19(29)26-17(20(30)36(32,33)34)7-11-3-4-25-18(11)28/h6,8,10-11,16-17,20,30H,3-5,7,9H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t11-,16-,17-,20-/m0/s1 | | Definition date: | 2022-01-19 | | Last modified: | 2024-09-27 | | Release date: | 2022-05-04 | | Identifier: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid |
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 | | ZNT | | Name: | 2'3'-cUA | | Formula: | C19 H23 N7 O14 P2 | | SMILES: | Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC3C(OC(COP(=O)(O)OC2C1O)C3O)N1C=CC(=O)NC1=O | | InChi: | InChI=1S/C19H23N7O14P2/c20-15-10-16(22-5-21-15)26(6-23-10)17-12(29)13-8(38-17)4-36-42(33,34)40-14-11(28)7(3-35-41(31,32)39-13)37-18(14)25-2-1-9(27)24-19(25)30/h1-2,5-8,11-14,17-18,28-29H,3-4H2,(H,31,32)(H,33,34)(H2,20,21,22)(H,24,27,30)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1 | | Synonyms: | 1-[(2R,5R,7R,8R,10S,12aR,14R,15R,15aS,16R)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxooctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecin-7-yl]pyrimidine-2,4(1H,3H)-dione | | Definition date: | 2023-03-17 | | Last modified: | 2024-09-27 | | Release date: | 2023-07-05 | | Identifier: | 1-[(2R,5R,7R,8R,10S,12aR,14R,15R,15aS,16R)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxooctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecin-7-yl]pyrimidine-2,4(1H,3H)-dione |
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 | | SLR | | Name: | (3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline | | Formula: | C10 H17 N O5 | | SMILES: | O=C1NC(C(=O)O)(C(O)C1C)C(O)C(C)C | | InChi: | InChI=1S/C10H17NO5/c1-4(2)6(12)10(9(15)16)7(13)5(3)8(14)11-10/h4-7,12-13H,1-3H3,(H,11,14)(H,15,16)/t5-,6+,7-,10-/m1/s1 | | Definition date: | 2008-07-29 | | Last modified: | 2024-09-27 | | Identifier: | (3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline |
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 | | PRV | | Name: | (2R)-amino(2-nitrophenyl)ethanoic acid | | Formula: | C8 H8 N2 O4 | | SMILES: | [O-][N+](=O)c1ccccc1C(N)C(=O)O | | InChi: | InChI=1S/C8H8N2O4/c9-7(8(11)12)5-3-1-2-4-6(5)10(13)14/h1-4,7H,9H2,(H,11,12)/t7-/m1/s1 | | Synonyms: | 2-(NITRO)PHENYLGLYCINE | | Definition date: | 2010-02-02 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-amino(2-nitrophenyl)ethanoic acid |
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 | | U88 | | Name: | 5-nitro-1,3-thiazole | | Formula: | C3 H2 N2 O2 S | | SMILES: | O=[N](=O)c1scnc1 | | InChi: | InChI=1S/C3H2N2O2S/c6-5(7)3-1-4-2-8-3/h1-2H | | Synonyms: | halicin | | Definition date: | 2021-01-28 | | Last modified: | 2024-09-27 | | Release date: | 2021-03-03 | | Identifier: | 5-nitro-1,3-thiazole |
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 | | RE6 | | Name: | (5R)-5-methylheptanoic acid | | Formula: | C8 H16 O2 | | SMILES: | CCC(C)CCCC(=O)O | | InChi: | InChI=1S/C8H16O2/c1-3-7(2)5-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m1/s1 | | Definition date: | 2022-06-22 | | Last modified: | 2024-09-27 | | Release date: | 2022-09-14 | | Identifier: | (5R)-5-methylheptanoic acid |
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 | | UMP | | Name: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE | | Formula: | C9 H13 N2 O8 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O | | InChi: | InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 | | Synonyms: | DUMP | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2'-deoxy-5'-uridylic acid |
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 | | Y4D | | Name: | (1R,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | | Formula: | C24 H41 N3 O8 S | | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CCC[CH](C2)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O | | InChi: | InChI=1S/C24H41N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h14-20,23,30H,3-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19-,20-,23+/m0/s1 | | Definition date: | 2021-02-03 | | Last modified: | 2024-09-27 | | Release date: | 2021-02-17 | | Identifier: | (1~{R},2~{S})-2-[[(2~{S})-2-[[(1~{S},5~{R})-3-bicyclo[3.3.1]nonanyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | Q6R | | Name: | (R)-2-((R)-((R)-2-amino-2-phenylacetamido)(carboxy)methyl)-5-chloro-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | | Formula: | C15 H16 Cl N3 O5 S | | SMILES: | N[CH](C(=O)N[CH]([CH]1NC(=C(Cl)CS1)C(O)=O)C(O)=O)c2ccccc2 | | InChi: | InChI=1S/C15H16ClN3O5S/c16-8-6-25-13(19-10(8)14(21)22)11(15(23)24)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9,11,13,19H,6,17H2,(H,18,20)(H,21,22)(H,23,24)/t9-,11+,13-/m1/s1 | | Synonyms: | cefaclor | | Definition date: | 2023-03-24 | | Last modified: | 2024-09-27 | | Release date: | 2024-05-15 | | Identifier: | (2~{R})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-chloranyl-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid |
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 | | V0Q | | Name: | [4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol | | Formula: | C13 H20 N2 O3 S | | SMILES: | CCN1CCN(CC1)[S](=O)(=O)c2ccc(CO)cc2 | | InChi: | InChI=1S/C13H20N2O3S/c1-2-14-7-9-15(10-8-14)19(17,18)13-5-3-12(11-16)4-6-13/h3-6,16H,2,7-11H2,1H3 | | Definition date: | 2021-04-01 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | [4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol |
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 | | ZNY | | Name: | (4R)-4-ethoxy-L-proline | | Formula: | C7 H13 N O3 | | SMILES: | CCOC1CC(NC1)C(=O)O | | InChi: | InChI=1S/C7H13NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1 | | Definition date: | 2021-05-12 | | Last modified: | 2024-09-27 | | Release date: | 2022-03-02 | | Identifier: | (4R)-4-ethoxy-L-proline |
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 | | WRZ | | Name: | N-[(2,4-dichlorophenyl)methyl]-4-propanamidobenzamide | | Formula: | C17 H16 Cl2 N2 O2 | | SMILES: | Clc1cc(Cl)ccc1CNC(=O)c1ccc(NC(=O)CC)cc1 | | InChi: | InChI=1S/C17H16Cl2N2O2/c1-2-16(22)21-14-7-4-11(5-8-14)17(23)20-10-12-3-6-13(18)9-15(12)19/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22) | | Definition date: | 2023-10-10 | | Last modified: | 2024-09-27 | | Release date: | 2024-06-26 | | Identifier: | N-[(2,4-dichlorophenyl)methyl]-4-propanamidobenzamide |
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 | | TTQ | | Name: | 6-AMINO-7-HYDROXY-L-TRYPTOPHAN | | Formula: | C11 H13 N3 O3 | | SMILES: | O=C(O)C(N)Cc2c1ccc(c(O)c1nc2)N | | InChi: | InChI=1S/C11H13N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,14-15H,3,12-13H2,(H,16,17)/t8-/m0/s1 | | Definition date: | 2006-08-21 | | Last modified: | 2024-09-27 | | Identifier: | 6-amino-7-hydroxy-L-tryptophan |
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 | | S6T | | Name: | pretilachlor | | Formula: | C17 H26 Cl N O2 | | SMILES: | CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC | | InChi: | InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3 | | Synonyms: | 2-chloranyl-~{N}-(2,6-diethylphenyl)-~{N}-(2-propoxyethyl)ethanamide | | Definition date: | 2020-11-10 | | Last modified: | 2024-09-27 | | Release date: | 2021-01-13 | | Identifier: | 2-chloranyl-~{N}-(2,6-diethylphenyl)-~{N}-(2-propoxyethyl)ethanamide |
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 | | V0T | | Name: | 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol | | Formula: | C12 H17 N O4 S | | SMILES: | OCc1ccc(cc1)[S](=O)(=O)N2CCC(O)CC2 | | InChi: | InChI=1S/C12H17NO4S/c14-9-10-1-3-12(4-2-10)18(16,17)13-7-5-11(15)6-8-13/h1-4,11,14-15H,5-9H2 | | Definition date: | 2021-04-01 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol |
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 | | X83 | | Name: | methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Formula: | C24 H41 F N4 O6 | | SMILES: | CNC(=O)C(O)C(CCC(C)F)NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)OC)C(C)(C)C | | InChi: | InChI=1S/C24H41FN4O6/c1-13(25)10-11-16(18(30)21(32)26-5)27-20(31)17-15-9-7-8-14(15)12-29(17)22(33)19(24(2,3)4)28-23(34)35-6/h13-19,30H,7-12H2,1-6H3,(H,26,32)(H,27,31)(H,28,34)/t13-,14+,15+,16+,17+,18-,19-/m1/s1 | | Definition date: | 2023-10-24 | | Last modified: | 2024-09-27 | | Release date: | 2024-03-06 | | Identifier: | methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate (non-preferred name) |
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 | | ZO1 | | Name: | 3-(trifluoromethyl)benzaldehyde | | Formula: | C8 H5 F3 O2 | | SMILES: | FC(F)(F)c1cccc(C=O)c1 | | InChi: | InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) | | Definition date: | 2021-05-12 | | Last modified: | 2024-09-27 | | Release date: | 2022-03-02 | | Identifier: | 3-(trifluoromethyl)benzaldehyde |
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 | | Y4J | | Name: | (1R,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | | Formula: | C24 H39 N3 O8 S | | SMILES: | N(C(=O)C(CC(C)C)NC(OCC1CC2CC(C1)CC=C2)=O)C(CC3C(NCC3)=O)C(O)S(=O)(O)=O | | InChi: | InChI=1S/C24H39N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19-,20-,23+/m0/s1 | | Definition date: | 2021-02-03 | | Last modified: | 2024-09-27 | | Release date: | 2021-02-17 | | Identifier: | (1R,2S)-2-{[N-({[(1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | TTS | | Name: | 3-((3E)-4-HYDROXY-3-{[2-(4-HYDROXYPHENYL)ETHYL]IMINO}-6-OXOCYCLOHEXA-1,4-DIEN-1-YL)ALANINE | | Formula: | C17 H18 N2 O5 | | SMILES: | O=C2C=C(O)/C(=N/CCc1ccc(O)cc1)C=C2CC(C(=O)O)N | | InChi: | InChI=1S/C17H18N2O5/c18-13(17(23)24)7-11-8-14(16(22)9-15(11)21)19-6-5-10-1-3-12(20)4-2-10/h1-4,8-9,13,20,22H,5-7,18H2,(H,23,24)/b19-14+/t13-/m0/s1 | | Definition date: | 2005-09-06 | | Last modified: | 2024-09-27 | | Identifier: | 3-[(3E)-4-hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]imino}-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine |
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 | | T0D | | Name: | (2~{S})-~{N}-[(1~{R})-1-[bis($l^{1}-oxidanyl)-methoxy-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[[2-(3-chlorophenyl)-2-methyl-propoxy]-oxidanylidene-methyl]amino]-4-methyl-pentanamide | | Formula: | C26 H38 Cl N3 O9 S | | SMILES: | CC(COC(=O)NC(CC(C)C)C(NC(C(OC(C)=O)S(=O)(=O)O)CC1CCNC1=O)=O)(C)c2cc(ccc2)Cl | | InChi: | InChI=1S/C26H38ClN3O9S/c1-15(2)11-20(30-25(34)38-14-26(4,5)18-7-6-8-19(27)13-18)23(33)29-21(12-17-9-10-28-22(17)32)24(39-16(3)31)40(35,36)37/h6-8,13,15,17,20-21,24H,9-12,14H2,1-5H3,(H,28,32)(H,29,33)(H,30,34)(H,35,36,37)/t17-,20-,21-,24+/m0/s1 | | Definition date: | 2020-03-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-09-30 | | Identifier: | (1R,2S)-1-(acetyloxy)-2-[(N-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | V0W | | Name: | 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane | | Formula: | C13 H20 N2 O2 S | | SMILES: | CN1CCCN(CC1)[S](=O)(=O)c2ccc(C)cc2 | | InChi: | InChI=1S/C13H20N2O2S/c1-12-4-6-13(7-5-12)18(16,17)15-9-3-8-14(2)10-11-15/h4-7H,3,8-11H2,1-2H3 | | Definition date: | 2021-04-01 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane |
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 | | PS5 | | Name: | PENTASULFIDE-SULFUR | | Formula: | S5 | | SMILES: | [S-]SSS[S-] | | InChi: | InChI=1S/H2S5/c1-3-5-4-2/h1-2H/p-2 | | Definition date: | 2003-09-15 | | Last modified: | 2024-09-27 | | Identifier: | pentasulfane-1,5-diide |
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