 | | O0B | | Name: | (2~{S},3~{S})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanal | | Formula: | C6 H10 F3 N O2 | | SMILES: | C[CH](CC(F)(F)F)[CH](N)C(O)=O | | InChi: | InChI=1S/C6H10F3NO2/c1-3(2-6(7,8)9)4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)/t3-,4-/m0/s1 | | Definition date: | 2020-01-13 | | Last modified: | 2024-06-28 | | Release date: | 2021-01-27 | | Identifier: | (2~{S},3~{S})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanoic acid |
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 | | O4Q | | Name: | (~{E})-4-chloranyl-3-methyl-but-3-enal | | Formula: | C5 H7 Cl O2 | | SMILES: | CC(CC(O)=O)=CCl | | InChi: | InChI=1S/C5H7ClO2/c1-4(3-6)2-5(7)8/h3H,2H2,1H3,(H,7,8)/b4-3+ | | Definition date: | 2020-01-31 | | Last modified: | 2024-06-28 | | Release date: | 2020-03-04 | | Identifier: | (~{E})-4-chloranyl-3-methyl-but-3-enoic acid |
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 | | O6H | | Name: | 2,4,6-trimethyl-L-phenylalanine | | Formula: | C12 H17 N O2 | | SMILES: | Cc1cc(C)c(C[CH](N)C(O)=O)c(C)c1 | | InChi: | InChI=1S/C12H17NO2/c1-7-4-8(2)10(9(3)5-7)6-11(13)12(14)15/h4-5,11H,6,13H2,1-3H3,(H,14,15)/t11-/m0/s1 | | Synonyms: | (2~{S})-2-azanyl-3-(2,4,6-trimethylphenyl)propanal | | Definition date: | 2020-02-13 | | Last modified: | 2024-06-28 | | Release date: | 2021-01-27 | | Identifier: | (2~{S})-2-azanyl-3-(2,4,6-trimethylphenyl)propanoic acid |
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 | | ORT | | Name: | (4~{S})-4-azanyl-5-oxidanylidene-pentanehydrazide | | Formula: | C5 H11 N3 O3 | | SMILES: | NNC(=O)CC[CH](N)C(O)=O | | InChi: | InChI=1S/C5H11N3O3/c6-3(5(10)11)1-2-4(9)8-7/h3H,1-2,6-7H2,(H,8,9)(H,10,11)/t3-/m0/s1 | | Definition date: | 2020-04-01 | | Last modified: | 2024-06-28 | | Release date: | 2020-07-01 | | Identifier: | (2~{S})-2-azanyl-5-diazanyl-5-oxidanylidene-pentanoic acid |
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 | | P5R | | Name: | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol | | Formula: | C34 H70 O18 | | SMILES: | OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO | | InChi: | InChI=1S/C34H70O18/c35-1-3-37-5-7-39-9-11-41-13-15-43-17-19-45-21-23-47-25-27-49-29-31-51-33-34-52-32-30-50-28-26-48-24-22-46-20-18-44-16-14-42-12-10-40-8-6-38-4-2-36/h35-36H,1-34H2 | | Definition date: | 2023-08-22 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
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 | | PX1 | | Name: | (1Z)-7-AMINO-1-(HYDROXYMETHYLENE)-2-IMINO-4,6-DIMETHYL-3-OXO-2,3-DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE | | Formula: | C16 H13 N3 O6 | | SMILES: | O=C2C(=[N@H])/C(/C1=Nc3c(OC1=C2C)c(c(cc3C=O)N)C)=CO | | InChi: | InChI=1S/C16H13N3O6/c1-4-7(17)3-6(15(21)22)10-13(4)25-14-5(2)12(20)9(18)8(16(23)24)11(14)19-10/h3,18,23-24H,17H2,1-2H3,(H,21,22)/b18-9- | | Definition date: | 2003-09-10 | | Last modified: | 2024-06-28 | | Identifier: | (1E,2E)-7-amino-1-(hydroxymethylidene)-2-imino-4,6-dimethyl-3-oxo-2,3-dihydro-1H-phenoxazine-9-carbaldehyde |
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 | | PXA | | Name: | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-3-OXO(8-AZA)PHENOXAZINE | | Formula: | C15 H11 N3 O6 | | SMILES: | O=CC=2C1=Nc3c(ncc(c3OC1=C(C(=O)C=2N)C)C)C=O | | InChi: | InChI=1S/C15H11N3O6/c1-4-3-17-10(15(22)23)9-12(4)24-13-5(2)11(19)7(16)6(14(20)21)8(13)18-9/h3H,16H2,1-2H3,(H,20,21)(H,22,23) | | Synonyms: | (8-AZA)PHENOXAZINE | | Definition date: | 1999-07-08 | | Last modified: | 2024-06-28 | | Identifier: | 8-amino-4,6-dimethyl-7-oxo-7H-pyrido[4,3-b][1,4]benzoxazine-1,9-dicarbaldehyde |
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 | | PXF | | Name: | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-8-FLUORO-3-OXOPHENOXAZINE | | Formula: | C16 H11 F N2 O6 | | SMILES: | C1(C=O)=C(N)C(=O)C(=C2Oc3c(cc(F)c(C=O)c3N=C12)C)C | | InChi: | InChI=1S/C16H11FN2O6/c1-4-3-6(17)7(15(21)22)10-13(4)25-14-5(2)12(20)9(18)8(16(23)24)11(14)19-10/h3H,18H2,1-2H3,(H,21,22)(H,23,24) | | Synonyms: | 8-FLUORO-PHENOXAZINE | | Definition date: | 1999-07-08 | | Last modified: | 2024-06-28 | | Identifier: | 2-amino-8-fluoro-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarbaldehyde |
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 | | PXZ | | Name: | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-PHENOXAZIN-3-ONE | | Formula: | C16 H12 N2 O6 | | SMILES: | O=CC=2C1=Nc3c(OC1=C(C(=O)C=2N)C)c(ccc3C=O)C | | InChi: | InChI=1S/C16H12N2O6/c1-5-3-4-7(15(20)21)10-13(5)24-14-6(2)12(19)9(17)8(16(22)23)11(14)18-10/h3-4H,17H2,1-2H3,(H,20,21)(H,22,23) | | Synonyms: | PHENOXAZINE | | Definition date: | 1999-07-08 | | Last modified: | 2024-06-28 | | Identifier: | 2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarbaldehyde |
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 | | Q2E | | Name: | (2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanal | | Formula: | C12 H14 N2 O2 S | | SMILES: | CSc1[nH]c2ccccc2c1C[CH](N)C(O)=O | | InChi: | InChI=1S/C12H14N2O2S/c1-17-11-8(6-9(13)12(15)16)7-4-2-3-5-10(7)14-11/h2-5,9,14H,6,13H2,1H3,(H,15,16)/t9-/m0/s1 | | Definition date: | 2020-05-07 | | Last modified: | 2024-06-28 | | Release date: | 2021-05-19 | | Identifier: | (2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanoic acid |
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 | | Q8X | | Name: | (2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanal | | Formula: | C14 H15 N3 O2 S | | SMILES: | N[CH](CSCc1ccc(nc1)c2ccccn2)C(O)=O | | InChi: | InChI=1S/C14H15N3O2S/c15-11(14(18)19)9-20-8-10-4-5-13(17-7-10)12-3-1-2-6-16-12/h1-7,11H,8-9,15H2,(H,18,19)/t11-/m0/s1 | | Definition date: | 2022-07-20 | | Last modified: | 2024-06-28 | | Release date: | 2023-08-16 | | Identifier: | (2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanoic acid |
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 | | QCN | | Name: | (2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanal | | Formula: | C13 H19 N O3 | | SMILES: | CC(C)(C)c1cc(C[CH](N)C(O)=O)ccc1O | | InChi: | InChI=1S/C13H19NO3/c1-13(2,3)9-6-8(4-5-11(9)15)7-10(14)12(16)17/h4-6,10,15H,7,14H2,1-3H3,(H,16,17)/t10-/m0/s1 | | Definition date: | 2020-06-05 | | Last modified: | 2024-06-28 | | Release date: | 2021-06-30 | | Identifier: | (2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanoic acid |
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 | | C12 | | Name: | 2-(1-AMINO-2-HYDROXYPROPYL)-4-(4-HYDROXYBENZYL)-1-(2-OXOETHYL)-1H-IMIDAZOL-5-OLATE | | Formula: | C15 H18 N3 O5 | | SMILES: | [O-]c1c(nc(n1CC=O)C(N)C(O)C)Cc2ccc(O)cc2 | | InChi: | InChI=1S/C15H19N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-5,8,13,19-20,23H,6-7,16H2,1H3,(H,21,22)/p-1/t8-,13+/m1/s1 | | Synonyms: | PEPTIDE DERIVED CHROMOPHORE | | Definition date: | 2006-02-23 | | Last modified: | 2024-06-28 | | Identifier: | 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-1-(2-oxoethyl)-1H-imidazol-5-olate |
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 | | QQ8 | | Name: | (4~{S})-4-azanyl-5-formamido-pentanamide | | Formula: | C6 H13 N3 O3 | | SMILES: | N[CH](CCC(N)=O)CNC(O)=O | | InChi: | InChI=1S/C6H13N3O3/c7-4(1-2-5(8)10)3-9-6(11)12/h4,9H,1-3,7H2,(H2,8,10)(H,11,12)/t4-/m0/s1 | | Definition date: | 2020-07-23 | | Last modified: | 2024-06-28 | | Release date: | 2021-06-09 | | Identifier: | [(2~{S})-2,5-bis(azanyl)-5-oxidanylidene-pentyl]carbamic acid |
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 | | QQB | | Name: | ~{N}-[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide | | Formula: | C14 H16 N2 O2 | | SMILES: | N[CH](CNC(O)=O)Cc1cccc2ccccc12 | | InChi: | InChI=1S/C14H16N2O2/c15-12(9-16-14(17)18)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,16H,8-9,15H2,(H,17,18)/t12-/m0/s1 | | Definition date: | 2020-07-23 | | Last modified: | 2024-06-28 | | Release date: | 2021-06-09 | | Identifier: | [(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]carbamic acid |
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 | | 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: | 2024-06-28 | | Identifier: | (2R,3E,5R)-5-amino-2,4-dimethylhex-3-enal |
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 | | CIV | | Name: | 2-[2-[(1~{S})-1,5-bis(azanyl)pentyl]-4-[(4-hydroxyphenyl)methyl]-5-oxidanylidene-imidazol-1-yl]ethanamide | | Formula: | C17 H23 N4 O4 | | SMILES: | NCCCCC(N)C=1N=C(Cc2ccc(O)cc2)C(=O)[N+]=1CC(N)=O | | InChi: | InChI=1S/C17H22N4O4/c18-8-2-1-3-13(19)16-20-14(17(25)21(16)10-15(23)24)9-11-4-6-12(22)7-5-11/h4-7,13H,1-3,8-10,18-19H2,(H-,22,23,24)/p+1/t13-/m0/s1 | | Synonyms: | CHROMOPHORE (LYS-TYR-GLY) | | Definition date: | 2021-11-22 | | Last modified: | 2024-06-28 | | Release date: | 2022-04-20 | | Identifier: | 3-(2-amino-2-oxoethyl)-2-[(1S)-1,5-diaminopentyl]-5-[(4-hydroxyphenyl)methyl]-4-oxo-4H-imidazol-3-ium |
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 | | RNG | | Name: | (6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPIN-1-YL)-ACETALDEHYDE FRAGMENT | | Formula: | C11 H16 N2 O4 | | SMILES: | O=C1N2N(C(=O)CCC1)C(CCC2)CC=O | | InChi: | InChI=1S/C11H16N2O4/c14-9-4-1-5-10(15)13-8(7-11(16)17)3-2-6-12(9)13/h8H,1-7H2,(H,16,17)/t8-/m1/s1 | | Synonyms: | FUSED RING FRAGMENT OF INHIBITOR | | Definition date: | 1999-07-08 | | Last modified: | 2024-06-28 | | Identifier: | [(1R)-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepin-1-yl]acetaldehyde |
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 | | S7Z | | Name: | (E)-(4-((2,6-difluoro-4-(hydroxymethyl)phenyl)diazenyl)-2,6-difluorophenyl)methanol | | Formula: | C14 H6 F4 N2 O4 | | SMILES: | OC(=O)c1cc(F)c(N=Nc2c(F)cc(cc2F)C(O)=O)c(F)c1 | | InChi: | InChI=1S/C14H6F4N2O4/c15-7-1-5(13(21)22)2-8(16)11(7)19-20-12-9(17)3-6(14(23)24)4-10(12)18/h1-4H,(H,21,22)(H,23,24)/b20-19- | | Synonyms: | [4-[(~{Z})-[2,6-bis(fluoranyl)-4-(hydroxymethyl)phenyl]diazenyl]-3,5-bis(fluoranyl)phenyl]methanol | | Definition date: | 2020-11-11 | | Last modified: | 2024-06-28 | | Release date: | 2021-12-15 | | Identifier: | 4-[(~{Z})-[4-carboxy-2,6-bis(fluoranyl)phenyl]diazenyl]-3,5-bis(fluoranyl)benzoic acid |
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 | | CR0 | | Name: | [2-(1-AMINO-2-HYDROXYPROPYL)-2-HYDROXY-4-ISOBUTYL-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETALDEHYDE | | Formula: | C12 H21 N3 O5 | | SMILES: | O=CCN1C(=O)C(=NC1(O)C(N)C(O)C)CC(C)C | | InChi: | InChI=1S/C12H21N3O5/c1-6(2)4-8-11(19)15(5-9(17)18)12(20,14-8)10(13)7(3)16/h6-7,10,16,20H,4-5,13H2,1-3H3,(H,17,18)/t7-,10+,12-/m1/s1 | | Synonyms: | 1-(2-ETHANONE)-2-HYDROXY-2-(1-AMINO-2-METHYL-2-ETHANOL)-4-(2-DIMETHYL)ETHANE-IMIDAZOLINE-5-ONE | | Definition date: | 2004-02-05 | | Last modified: | 2024-06-28 | | Identifier: | [(2R)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(2-methylpropyl)-5-oxo-2,5-dihydro-1H-imidazol-1-yl]acetaldehyde |
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 | | CRK | | Name: | 4-{(Z)-[2-[3-(METHYLSULFANYL)PROPANOYL]-5-OXO-1-(2-OXOETHYL)-1,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE]METHYL}BENZENOLATE | | Formula: | C16 H15 N2 O5 S | | SMILES: | O=C(C1=N/C(C(=O)N1CC=O)=C/c2ccc([O-])cc2)CCSC | | InChi: | InChI=1S/C16H16N2O5S/c1-24-7-6-13(20)15-17-12(16(23)18(15)9-14(21)22)8-10-2-4-11(19)5-3-10/h2-5,8,19H,6-7,9H2,1H3,(H,21,22)/p-1/b12-8+ | | Definition date: | 2004-10-11 | | Last modified: | 2024-06-28 | | Identifier: | 4-[(E)-{2-[3-(methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4H-imidazol-4-ylidene}methyl]phenolate |
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 | | TA2 | | Name: | (2R,3S)-3-AMINO-3-PHENYLPROPANE-1,2-DIOL | | Formula: | C9 H11 N O3 | | SMILES: | OCC(O)C(N)c1ccccc1 | | InChi: | InChI=1S/C9H11NO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1 | | Definition date: | 2006-09-22 | | Last modified: | 2024-06-28 | | Identifier: | (2R,3S)-3-amino-3-phenylpropane-1,2-diol |
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 | | 9AC | | Name: | 9-ACRIDINECARBONYL | | Formula: | C14 H9 N O2 | | SMILES: | O=Cc1c3c(nc2c1cccc2)cccc3 | | InChi: | InChI=1S/C14H9NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H,16,17) | | Synonyms: | 9-ACRIDINOYL | | Definition date: | 2000-11-10 | | Last modified: | 2024-06-28 | | Identifier: | acridine-9-carbaldehyde |
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 | | DUG | | Name: | (3-chloro-4-fluorophenoxy)acetaldehyde | | Formula: | C8 H6 Cl F O3 | | SMILES: | Fc1ccc(cc1Cl)OCC=O | | InChi: | InChI=1S/C8H6ClFO3/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12) | | Definition date: | 2017-11-07 | | Last modified: | 2024-06-28 | | Release date: | 2018-10-17 | | Identifier: | (3-chloro-4-fluorophenoxy)acetaldehyde |
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 | | EX8 | | Name: | (2~{R},3~{R},4~{S})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carbaldehyde | | Formula: | C5 H8 F N O3 | | SMILES: | O[CH]1CN[CH]([CH]1F)C(O)=O | | InChi: | InChI=1S/C5H8FNO3/c6-3-2(8)1-7-4(3)5(9)10/h2-4,7-8H,1H2,(H,9,10)/t2-,3-,4-/m0/s1 | | Definition date: | 2018-05-03 | | Last modified: | 2024-06-28 | | Release date: | 2018-07-11 | | Identifier: | (2~{R},3~{R},4~{S})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carboxylic acid |
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