![JBA JBA](https://data.pdbj.org/pdbjplus/data/cc/svg/JBA.svg) | JBA | Name: | (2R)-3-{(5S)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)propanamide | Formula: | C19 H22 N2 O6 S | SMILES: | O=S(=O)(C)C(C)(CC3OC(N(c1ccc(cc1)C#CC2CC2)C3)=O)C(NO)=O | InChi: | InChI=1S/C19H22N2O6S/c1-19(17(22)20-24,28(2,25)26)11-16-12-21(18(23)27-16)15-9-7-14(8-10-15)6-5-13-3-4-13/h7-10,13,16,24H,3-4,11-12H2,1-2H3,(H,20,22)/t16-,19+/m0/s1 | Definition date: | 2018-08-28 | Last modified: | 2019-01-18 | Release date: | 2019-01-23 | Identifier: | (2R)-3-{(5S)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)propanamide |
|
![JDP JDP](https://data.pdbj.org/pdbjplus/data/cc/svg/JDP.svg) | JDP | Name: | 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide | Formula: | C24 H23 N5 O2 | SMILES: | c5cccc(CNc3nc(n2c1cccc(C(=O)N)c1cc2C)nc4c3COCC4)c5 | InChi: | InChI=1S/C24H23N5O2/c1-15-12-18-17(22(25)30)8-5-9-21(18)29(15)24-27-20-10-11-31-14-19(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28) | Definition date: | 2018-09-04 | Last modified: | 2019-01-18 | Release date: | 2019-01-23 | Identifier: | 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide |
|
![7KC 7KC](https://data.pdbj.org/pdbjplus/data/cc/svg/7KC.svg) | 7KC | Name: | PF-3758309 | Formula: | C25 H30 N8 O S | SMILES: | CN(C)C[CH](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c5ccccc5 | InChi: | InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1 | Definition date: | 2016-11-04 | Last modified: | 2019-01-16 | Release date: | 2017-12-06 | Identifier: | ~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide |
|
![VGI VGI](https://data.pdbj.org/pdbjplus/data/cc/svg/VGI.svg) | VGI | Name: | 2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione | Formula: | C20 H15 Br N2 O3 | SMILES: | Brc1cccc(c1)N4C(=O)c3cccc2c(ccc(c23)C4=O)NCCO | InChi: | InChI=1S/C20H15BrN2O3/c21-12-3-1-4-13(11-12)23-19(25)15-6-2-5-14-17(22-9-10-24)8-7-16(18(14)15)20(23)26/h1-8,11,22,24H,9-10H2 | Definition date: | 2009-05-05 | Last modified: | 2019-01-15 | Identifier: | 2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1H-benzo[de]isoquinoline-1,3(2H)-dione |
|
![GSI GSI](https://data.pdbj.org/pdbjplus/data/cc/svg/GSI.svg) | GSI | Name: | 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide | Formula: | C22 H25 Cl F N5 O3 S2 | SMILES: | Clc1sc(cc1)CCS(=O)(=O)NC4C(=O)N(c3ccc(n2ccnc2CN(C)C)cc3F)CC4 | InChi: | InChI=1S/C22H25ClFN5O3S2/c1-27(2)14-21-25-9-11-28(21)15-3-5-19(17(24)13-15)29-10-7-18(22(29)30)26-34(31,32)12-8-16-4-6-20(23)33-16/h3-6,9,11,13,18,26H,7-8,10,12,14H2,1-2H3/t18-/m0/s1 | Definition date: | 2007-11-16 | Last modified: | 2019-01-15 | Identifier: | 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide |
|
![YY4 YY4](https://data.pdbj.org/pdbjplus/data/cc/svg/YY4.svg) | YY4 | Name: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one | Formula: | C30 H33 Cl2 N7 O4 | SMILES: | COc1c(Cl)c(c(c(c1)OC)Cl)N2C(N(c4c(C2)cnc(Nc3ccccc3)n4)C5CCN(C5)C([C@H]=CCN(C)C)=O)=O | InChi: | InChI=1S/C30H33Cl2N7O4/c1-36(2)13-8-11-24(40)37-14-12-21(18-37)39-28-19(16-33-29(35-28)34-20-9-6-5-7-10-20)17-38(30(39)41)27-25(31)22(42-3)15-23(43-4)26(27)32/h5-11,15-16,21H,12-14,17-18H2,1-4H3,(H,33,34,35)/b11-8+/t21-/m0/s1 | Definition date: | 2017-02-03 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one |
|
![YY5 YY5](https://data.pdbj.org/pdbjplus/data/cc/svg/YY5.svg) | YY5 | Name: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one | Formula: | C27 H35 Cl2 N7 O4 | SMILES: | COc1cc(OC)c(Cl)c(c1Cl)N2C(N(c3c(C2)cnc(NC(C)C)n3)C4CCN(C4)C([C@H]=CCN(C)C)=O)=O | InChi: | InChI=1S/C27H35Cl2N7O4/c1-16(2)31-26-30-13-17-14-35(24-22(28)19(39-5)12-20(40-6)23(24)29)27(38)36(25(17)32-26)18-9-11-34(15-18)21(37)8-7-10-33(3)4/h7-8,12-13,16,18H,9-11,14-15H2,1-6H3,(H,30,31,32)/b8-7+/t18-/m0/s1 | Definition date: | 2017-02-03 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one |
|
![YY6 YY6](https://data.pdbj.org/pdbjplus/data/cc/svg/YY6.svg) | YY6 | Name: | 7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one | Formula: | C30 H39 Cl2 N7 O4 | SMILES: | COc1cc(OC)c(Cl)c(c1Cl)N4Cc3cnc(NC2CCCCC2)nc3N(C4=O)C5CCN(C5)C([C@H]=CCN(C)C)=O | InChi: | InChI=1S/C30H39Cl2N7O4/c1-36(2)13-8-11-24(40)37-14-12-21(18-37)39-28-19(16-33-29(35-28)34-20-9-6-5-7-10-20)17-38(30(39)41)27-25(31)22(42-3)15-23(43-4)26(27)32/h8,11,15-16,20-21H,5-7,9-10,12-14,17-18H2,1-4H3,(H,33,34,35)/b11-8+/t21-/m0/s1 | Definition date: | 2017-02-03 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one |
|
![YY7 YY7](https://data.pdbj.org/pdbjplus/data/cc/svg/YY7.svg) | YY7 | Name: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one | Formula: | C25 H31 Cl2 N7 O4 | SMILES: | COc1c(Cl)c(c(c(c1)OC)Cl)N2C(N(c3c(C2)cnc(NC)n3)C4CCN(C4)C([C@H]=CCN(C)C)=O)=O | InChi: | InChI=1S/C25H31Cl2N7O4/c1-28-24-29-12-15-13-33(22-20(26)17(37-4)11-18(38-5)21(22)27)25(36)34(23(15)30-24)16-8-10-32(14-16)19(35)7-6-9-31(2)3/h6-7,11-12,16H,8-10,13-14H2,1-5H3,(H,28,29,30)/b7-6+/t16-/m0/s1 | Definition date: | 2017-02-03 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one |
|
![GAW GAW](https://data.pdbj.org/pdbjplus/data/cc/svg/GAW.svg) | GAW | Name: | 2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide | Formula: | C30 H32 F6 N4 O | SMILES: | CN1CCN(CC1)c2cc(c(cn2)N(C)C(=O)C(C)(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c4ccccc4C | InChi: | InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3 | Definition date: | 2018-09-11 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide |
|
![GBK GBK](https://data.pdbj.org/pdbjplus/data/cc/svg/GBK.svg) | GBK | Name: | (2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine | Formula: | C19 H24 N2 O | SMILES: | COc1ccccc1CN[CH]2CCCN[CH]2c3ccccc3 | InChi: | InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1 | Definition date: | 2018-09-11 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | (2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine |
|
![GBQ GBQ](https://data.pdbj.org/pdbjplus/data/cc/svg/GBQ.svg) | GBQ | Name: | 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one | Formula: | C23 H21 F7 N4 O3 | SMILES: | C[CH](O[CH]1OCCN(CC2=NC(=O)NN2)[CH]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F | InChi: | InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1 | Definition date: | 2018-09-11 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one |
|
![A1U A1U](https://data.pdbj.org/pdbjplus/data/cc/svg/A1U.svg) | A1U | Name: | 3,5-dimethylpyrazin-2-ol | Formula: | C6 H8 N2 O | SMILES: | c1c(C)nc(c(n1)O)C | InChi: | InChI=1S/C6H8N2O/c1-4-3-7-6(9)5(2)8-4/h3H,1-2H3,(H,7,9) | Definition date: | 2018-09-13 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 3,5-dimethylpyrazin-2-ol |
|
![TNQ TNQ](https://data.pdbj.org/pdbjplus/data/cc/svg/TNQ.svg) | TNQ | Name: | 6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan | Formula: | C13 H15 N3 O5 | SMILES: | NC(C(=O)O)Cc1cnc2c1ccc(c2O)NCC(=O)O | InChi: | InChI=1S/C13H15N3O5/c14-8(13(20)21)3-6-4-16-11-7(6)1-2-9(12(11)19)15-5-10(17)18/h1-2,4,8,15-16,19H,3,5,14H2,(H,17,18)(H,20,21)/t8-/m0/s1 | Definition date: | 2018-08-16 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan |
|
![TZ0 TZ0](https://data.pdbj.org/pdbjplus/data/cc/svg/TZ0.svg) | TZ0 | Name: | 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one | Formula: | C22 H22 N6 O3 | SMILES: | COc1cc(OC)cc(c1)C#Cc3c2c(ncnc2N)n(n3)C4CN(CC4)C([C@H]=C)=O | InChi: | InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1 | Definition date: | 2018-11-06 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one |
|
![C8A C8A](https://data.pdbj.org/pdbjplus/data/cc/svg/C8A.svg) | C8A | Name: | {[(4-benzylphenyl)amino]methylene}bis(phosphonic acid) | Formula: | C14 H17 N O6 P2 | SMILES: | c2(Cc1ccccc1)ccc(NC(P(O)(O)=O)P(O)(=O)O)cc2 | InChi: | InChI=1S/C14H17NO6P2/c16-22(17,18)14(23(19,20)21)15-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H2,16,17,18)(H2,19,20,21) | Definition date: | 2017-09-18 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | {[(4-benzylphenyl)amino]methylene}bis(phosphonic acid) |
|
![FFN FFN](https://data.pdbj.org/pdbjplus/data/cc/svg/FFN.svg) | FFN | Name: | 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one | Formula: | C13 H9 F N2 O S | SMILES: | CC1=Nc2scc(c3ccc(F)cc3)c2C(=O)N1 | InChi: | InChI=1S/C13H9FN2OS/c1-7-15-12(17)11-10(6-18-13(11)16-7)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16,17) | Definition date: | 2018-06-27 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one |
|
![FHJ FHJ](https://data.pdbj.org/pdbjplus/data/cc/svg/FHJ.svg) | FHJ | Name: | dimethyl (1S,2S,3R,4R)-1-[(1S)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate | Formula: | C25 H27 N O5 | SMILES: | c1cc(ccc1)NC(C32C(C(=O)OC)C(C(O2)C=C3)C(=O)OC)Cc4ccc(cc4)C | InChi: | InChI=1S/C25H27NO5/c1-16-9-11-17(12-10-16)15-20(26-18-7-5-4-6-8-18)25-14-13-19(31-25)21(23(27)29-2)22(25)24(28)30-3/h4-14,19-22,26H,15H2,1-3H3/t19-,20+,21+,22-,25-/m1/s1 | Definition date: | 2018-04-02 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | dimethyl (1S,2S,3R,4R)-1-[(1S)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate |
|
![EGP EGP](https://data.pdbj.org/pdbjplus/data/cc/svg/EGP.svg) | EGP | Name: | N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea | Formula: | C31 H39 N7 O2 S | SMILES: | n2(cc(CN1CCN(C)CC1)c3ccc(cc23)NC(NCCc4cnc5ccccc45)=S)CC(=O)N6CCOCC6 | InChi: | InChI=1S/C31H39N7O2S/c1-35-10-12-36(13-11-35)20-24-21-38(22-30(39)37-14-16-40-17-15-37)29-18-25(6-7-27(24)29)34-31(41)32-9-8-23-19-33-28-5-3-2-4-26(23)28/h2-7,18-19,21,33H,8-17,20,22H2,1H3,(H2,32,34,41) | Definition date: | 2018-01-10 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea |
|
![EH1 EH1](https://data.pdbj.org/pdbjplus/data/cc/svg/EH1.svg) | EH1 | Name: | 4-cyclohexylbenzoic acid | Formula: | C13 H16 O2 | SMILES: | C1(CCCCC1)c2ccc(C(=O)O)cc2 | InChi: | InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15) | Definition date: | 2018-01-10 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 4-cyclohexylbenzoic acid |
|
![EHY EHY](https://data.pdbj.org/pdbjplus/data/cc/svg/EHY.svg) | EHY | Name: | N-(2-phenylethyl)-N'-pyridin-3-ylthiourea | Formula: | C14 H15 N3 S | SMILES: | c1ccc(cc1)CCNC(Nc2cccnc2)=S | InChi: | InChI=1S/C14H15N3S/c18-14(17-13-7-4-9-15-11-13)16-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H2,16,17,18) | Definition date: | 2018-01-11 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | N-(2-phenylethyl)-N'-pyridin-3-ylthiourea |
|
![EJD EJD](https://data.pdbj.org/pdbjplus/data/cc/svg/EJD.svg) | EJD | Name: | 4-(thiophen-3-yl)benzoic acid | Formula: | C11 H8 O2 S | SMILES: | c1(ccsc1)c2ccc(C(O)=O)cc2 | InChi: | InChI=1S/C11H8O2S/c12-11(13)9-3-1-8(2-4-9)10-5-6-14-7-10/h1-7H,(H,12,13) | Definition date: | 2018-01-13 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 4-(thiophen-3-yl)benzoic acid |
|
![EJV EJV](https://data.pdbj.org/pdbjplus/data/cc/svg/EJV.svg) | EJV | Name: | 4-heptylbenzoic acid | Formula: | C14 H20 O2 | SMILES: | c1cc(ccc1C(O)=O)CCCCCCC | InChi: | InChI=1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16) | Definition date: | 2018-01-15 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 4-heptylbenzoic acid |
|
![EKA EKA](https://data.pdbj.org/pdbjplus/data/cc/svg/EKA.svg) | EKA | Name: | [cyclohexyl(hydroxy)amino](oxo)acetic acid | Formula: | C8 H13 N O4 | SMILES: | C(C(N(C1CCCCC1)O)=O)(O)=O | InChi: | InChI=1S/C8H13NO4/c10-7(8(11)12)9(13)6-4-2-1-3-5-6/h6,13H,1-5H2,(H,11,12) | Definition date: | 2018-01-16 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | [cyclohexyl(hydroxy)amino](oxo)acetic acid |
|
![EKD EKD](https://data.pdbj.org/pdbjplus/data/cc/svg/EKD.svg) | EKD | Name: | (cyclohexylamino)(oxo)acetic acid | Formula: | C8 H13 N O3 | SMILES: | C(C(NC1CCCCC1)=O)(O)=O | InChi: | InChI=1S/C8H13NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10)(H,11,12) | Definition date: | 2018-01-16 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | (cyclohexylamino)(oxo)acetic acid |
|