![A1IBD A1IBD](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IBD.svg) | A1IBD | Name: | ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide | Formula: | C10 H16 N2 O2 S | SMILES: | C[CH](N)CN[S](=O)(=O)c1ccc(C)cc1 | InChi: | InChI=1S/C10H16N2O2S/c1-8-3-5-10(6-4-8)15(13,14)12-7-9(2)11/h3-6,9,12H,7,11H2,1-2H3/t9-/m0/s1 | Definition date: | 2024-05-10 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide |
|
![A1IBE A1IBE](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IBE.svg) | 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 |
|
![A1IBQ A1IBQ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IBQ.svg) | 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 |
|
![A1IBR A1IBR](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IBR.svg) | 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 |
|
![A1L2I A1L2I](https://data.pdbj.org/pdbjplus/data/cc/svg/A1L2I.svg) | 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 |
|
![A1LTQ A1LTQ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LTQ.svg) | 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 |
|
![O0B O0B](https://data.pdbj.org/pdbjplus/data/cc/svg/O0B.svg) | 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 |
|
![2UC 2UC](https://data.pdbj.org/pdbjplus/data/cc/svg/2UC.svg) | 2UC | Name: | 1-[3-(2-oxoethyl)benzyl]guanidine | Formula: | C10 H13 N3 O2 | SMILES: | O=CCc1cccc(c1)CNC(=[N@H])N | InChi: | InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-2-7(4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13) | Definition date: | 2014-02-07 | Last modified: | 2024-06-28 | Release date: | 2014-04-09 | Identifier: | 1-[3-(2-oxoethyl)benzyl]guanidine |
|
![O6H O6H](https://data.pdbj.org/pdbjplus/data/cc/svg/O6H.svg) | 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 |
|
![56J 56J](https://data.pdbj.org/pdbjplus/data/cc/svg/56J.svg) | 56J | Name: | 3-(9H-fluoren-9-yl)propanal | Formula: | C16 H14 O2 | SMILES: | c1cc2c(cc1)c3c(C2CCC=O)cccc3 | InChi: | InChI=1S/C16H14O2/c17-16(18)10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,17,18) | Definition date: | 2015-08-04 | Last modified: | 2024-06-28 | Release date: | 2016-08-17 | Identifier: | 3-(9H-fluoren-9-yl)propanal |
|
![MAZ MAZ](https://data.pdbj.org/pdbjplus/data/cc/svg/MAZ.svg) | MAZ | Name: | FORMIC ACID 3-AMINO-BENZYL ESTER | Formula: | C8 H9 N O3 | SMILES: | O=COCc1cc(N)ccc1 | InChi: | InChI=1S/C8H9NO3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5,9H2,(H,10,11) | Synonyms: | META-AMINO BENZYLOCARBONYL | Definition date: | 2001-09-21 | Last modified: | 2024-06-28 | Identifier: | 3-aminobenzyl formate |
|
![ORT ORT](https://data.pdbj.org/pdbjplus/data/cc/svg/ORT.svg) | 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 |
|
![HHC HHC](https://data.pdbj.org/pdbjplus/data/cc/svg/HHC.svg) | HHC | Name: | ~{N}-[(2~{R})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-2-[(4~{R})-4-methanoyl-4,5-dihydro-1,3-thiazol-2-yl]pyridine-4-carboxamide | Formula: | C13 H15 N5 O4 S | SMILES: | N[CH](CNC(=O)c1ccnc(c1)C2=N[CH](CS2)C(O)=O)C(N)=O | InChi: | InChI=1S/C13H15N5O4S/c14-7(10(15)19)4-17-11(20)6-1-2-16-8(3-6)12-18-9(5-23-12)13(21)22/h1-3,7,9H,4-5,14H2,(H2,15,19)(H,17,20)(H,21,22)/t7-,9+/m1/s1 | Definition date: | 2021-01-12 | Last modified: | 2024-06-28 | Release date: | 2021-04-14 | Identifier: | (4~{R})-2-[4-[[(2~{R})-2,3-bis(azanyl)-3-oxidanylidene-propyl]carbamoyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
|
![85L 85L](https://data.pdbj.org/pdbjplus/data/cc/svg/85L.svg) | 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 |
|
![Q8X Q8X](https://data.pdbj.org/pdbjplus/data/cc/svg/Q8X.svg) | 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 |
|
![QCN QCN](https://data.pdbj.org/pdbjplus/data/cc/svg/QCN.svg) | 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 |
|
![QQB QQB](https://data.pdbj.org/pdbjplus/data/cc/svg/QQB.svg) | 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 |
|
![DUG DUG](https://data.pdbj.org/pdbjplus/data/cc/svg/DUG.svg) | 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 |
|
![9AC 9AC](https://data.pdbj.org/pdbjplus/data/cc/svg/9AC.svg) | 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 |
|
![9JC 9JC](https://data.pdbj.org/pdbjplus/data/cc/svg/9JC.svg) | 9JC | Name: | 4-(aminomethyl)-8-azanyl-quinoline-2-carbaldehyde | Formula: | C11 H11 N3 O2 | SMILES: | NCc1cc(nc2c(N)cccc12)C(O)=O | InChi: | InChI=1S/C11H11N3O2/c12-5-6-4-9(11(15)16)14-10-7(6)2-1-3-8(10)13/h1-4H,5,12-13H2,(H,15,16) | Definition date: | 2021-11-15 | Last modified: | 2024-06-28 | Release date: | 2023-09-27 | Identifier: | 4-(aminomethyl)-8-azanyl-quinoline-2-carboxylic acid |
|
![P5R P5R](https://data.pdbj.org/pdbjplus/data/cc/svg/P5R.svg) | 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 |
|
![P8R P8R](https://data.pdbj.org/pdbjplus/data/cc/svg/P8R.svg) | P8R | Name: | 1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane | Formula: | C24 H50 O12 | SMILES: | COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC | InChi: | InChI=1S/C24H50O12/c1-25-3-5-27-7-9-29-11-13-31-15-17-33-19-21-35-23-24-36-22-20-34-18-16-32-14-12-30-10-8-28-6-4-26-2/h3-24H2,1-2H3 | Definition date: | 2023-08-24 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | 1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane |
|
![S7Z S7Z](https://data.pdbj.org/pdbjplus/data/cc/svg/S7Z.svg) | 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 |
|
![SJW SJW](https://data.pdbj.org/pdbjplus/data/cc/svg/SJW.svg) | SJW | Name: | 3-pyridin-3-ylpropanal | Formula: | C8 H9 N O2 | SMILES: | OC(=O)CCc1cccnc1 | InChi: | InChI=1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11) | Definition date: | 2020-11-20 | Last modified: | 2024-06-28 | Release date: | 2021-12-01 | Identifier: | 3-pyridin-3-ylpropanoic acid |
|
![TA2 TA2](https://data.pdbj.org/pdbjplus/data/cc/svg/TA2.svg) | 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 |
|