 | | A1IBE | | Name: | ~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide | | Formula: | C9 H13 F N2 O3 S | | SMILES: | NC[CH](O)CN[S](=O)(=O)c1ccccc1F | | InChi: | InChI=1S/C9H13FN2O3S/c10-8-3-1-2-4-9(8)16(14,15)12-6-7(13)5-11/h1-4,7,12-13H,5-6,11H2/t7-/m0/s1 | | Definition date: | 2024-05-10 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | ~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide |
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 | | A1IBQ | | Name: | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide | | Formula: | C14 H14 F2 N2 O2 S | | SMILES: | N[CH](CN[S](=O)(=O)c1cc(F)cc(F)c1)c2ccccc2 | | InChi: | InChI=1S/C14H14F2N2O2S/c15-11-6-12(16)8-13(7-11)21(19,20)18-9-14(17)10-4-2-1-3-5-10/h1-8,14,18H,9,17H2/t14-/m1/s1 | | Definition date: | 2024-05-14 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide |
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 | | A1IBR | | Name: | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide | | Formula: | C15 H16 F2 N2 O2 S | | SMILES: | CN(C[CH](N)c1ccccc1)[S](=O)(=O)c2cc(F)cc(F)c2 | | InChi: | InChI=1S/C15H16F2N2O2S/c1-19(10-15(18)11-5-3-2-4-6-11)22(20,21)14-8-12(16)7-13(17)9-14/h2-9,15H,10,18H2,1H3/t15-/m1/s1 | | Definition date: | 2024-05-14 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide |
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 | | A1L2I | | Name: | Acarviosin | | Formula: | C14 H25 N O8 | | SMILES: | CO[CH]1O[CH](C)[CH](N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O | | InChi: | InChI=1S/C14H25NO8/c1-5-8(11(19)13(21)14(22-2)23-5)15-7-3-6(4-16)9(17)12(20)10(7)18/h3,5,7-21H,4H2,1-2H3/t5-,7+,8-,9-,10+,11+,12+,13-,14+/m1/s1 | | Synonyms: | (1~{S},2~{S},3~{R},6~{S})-4-(hydroxymethyl)-6-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-6-methoxy-2-methyl-4,5-bis(oxidanyl)oxan-3-yl]amino]cyclohex-4-ene-1,2,3-triol | | Definition date: | 2024-06-21 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | (1~{S},2~{S},3~{R},6~{S})-4-(hydroxymethyl)-6-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-6-methoxy-2-methyl-4,5-bis(oxidanyl)oxan-3-yl]amino]cyclohex-4-ene-1,2,3-triol |
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 | | A1LTQ | | Name: | ADP-RIBOXANATED ARGININE | | Formula: | C21 H32 N8 O15 P2 | | SMILES: | N[CH](CCCN1[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2OC1=N)C(O)=O | | InChi: | InChI=1S/C21H32N8O15P2/c22-8(20(33)34)2-1-3-28-19-15(43-21(28)24)13(31)10(42-19)5-40-46(37,38)44-45(35,36)39-4-9-12(30)14(32)18(41-9)29-7-27-11-16(23)25-6-26-17(11)29/h6-10,12-15,18-19,24,30-32H,1-5,22H2,(H,33,34)(H,35,36)(H,37,38)(H2,23,25,26)/b24-21+/t8-,9+,10+,12+,13+,14+,15+,18+,19-/m0/s1 | | Synonyms: | 5-[5-[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-azanylidene-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-3-yl]-2-azanyl-pentanoic acid | | Definition date: | 2024-01-22 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | 5-[5-[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-azanylidene-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-3-yl]-2-azanyl-pentanoic 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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 | | 85L | | Name: | [[(2~{R})-2-azanyl-3-oxidanylidene-propyl]-(chloranylaurio)sulfanuidyl]-chloranyl-gold | | Formula: | C3 H6 Au2 Cl2 N O2 S | | SMILES: | N[CH](C[S-]([Au]Cl)[Au]Cl)C(O)=O | | InChi: | InChI=1S/C3H7NO2S.2Au.2ClH/c4-2(1-7)3(5)6 | | Definition date: | 2021-10-01 | | Last modified: | 2024-06-28 | | Release date: | 2023-04-19 | | Identifier: | [[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-(chloranylaurio)sulfanuidyl]-chloranyl-gold |
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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | AJO | | Name: | 2-[cyanomethyl(methyl)amino]-N-(6-methylpyridin-2-yl)ethanamide | | Formula: | C11 H14 N4 O | | SMILES: | CN(CC#N)CC(=O)Nc1cccc(C)n1 | | InChi: | InChI=1S/C11H14N4O/c1-9-4-3-5-10(13-9)14-11(16)8-15(2)7-6-12/h3-5H,7-8H2,1-2H3,(H,13,14,16) | | Definition date: | 2021-11-09 | | Last modified: | 2024-06-26 | | Release date: | 2024-06-19 | | Identifier: | 2-[cyanomethyl(methyl)amino]-~{N}-(6-methylpyridin-2-yl)ethanamide |
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 | | 01W | | Name: | (2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate | | Formula: | C10 H12 N4 O6 | | SMILES: | [O-][N+](=O)c1ccc(NCCC(C([O-])=O)[NH3+])c(c1)[N+]([O-])=O | | InChi: | InChI=1S/C10H12N4O6/c11-7(10(15)16)3-4-12-8-2-1-6(13(17)18)5-9(8)14(19)20/h1-2,5,7,12H,3-4,11H2,(H,15,16)/t7-/m0/s1 | | Definition date: | 2008-07-21 | | Last modified: | 2024-06-26 | | Identifier: | (2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate |
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 | | UEO | | Name: | 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one | | Formula: | C19 H24 N6 O2 | | SMILES: | CCC(=O)N1CCCC(CC1)Oc1nc(cn2nccc12)c1cn(C)nc1 | | InChi: | InChI=1S/C19H24N6O2/c1-3-18(26)24-9-4-5-15(7-10-24)27-19-17-6-8-20-25(17)13-16(22-19)14-11-21-23(2)12-14/h6,8,11-13,15H,3-5,7,9-10H2,1-2H3/t15-/m1/s1 | | Definition date: | 2023-09-04 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one |
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 | | Y0Z | | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-{3-[3-(phenylcarbamoyl)phenyl]propanoyl}-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate | | Formula: | C43 H48 N10 O17 P2 | | SMILES: | O=C(Nc1ccccc1)c1cccc(c1)CCC(=O)N1c2cc(C)c(C)cc2N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C=2NC(=O)NC(=O)C1=2 | | InChi: | InChI=1S/C43H48N10O17P2/c1-21-13-26-27(14-22(21)2)53(31(56)12-11-23-7-6-8-24(15-23)40(60)48-25-9-4-3-5-10-25)33-39(49-43(62)50-41(33)61)51(26)16-28(54)34(57)29(55)17-67-71(63,64)70-72(65,66)68-18-30-35(58)36(59)42(69-30)52-20-47-32-37(44)45-19-46-38(32)52/h3-10,13-15,19-20,28-30,34-36,42,54-55,57-59H,11-12,16-18H2,1-2H3,(H,48,60)(H,63,64)(H,65,66)(H2,44,45,46)(H2,49,50,61,62)/t28-,29+,30+,34-,35+,36+,42+/m0/s1 | | Definition date: | 2022-12-21 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-{3-[3-(phenylcarbamoyl)phenyl]propanoyl}-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
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 | | XLZ | | Name: | 7-[(1~{S})-1-[4-(3-azanylpropyl)-1,2,3-triazol-1-yl]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid | | Formula: | C24 H26 Cl N5 O4 S | | SMILES: | C[CH](n1cc(CCCN)nn1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(Cl)c4 | | InChi: | InChI=1S/C24H26ClN5O4S/c1-14(30-12-17(28-29-30)5-4-10-26)18-6-3-7-19-21(23(24(31)32)27-22(18)19)15-8-9-16(20(25)11-15)13-35(2,33)34/h3,6-9,11-12,14,27H,4-5,10,13,26H2,1-2H3,(H,31,32)/t14-/m0/s1 | | Definition date: | 2023-06-08 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 7-[(1~{S})-1-[4-(3-azanylpropyl)-1,2,3-triazol-1-yl]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid |
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