![OZE OZE](https://data.pdbj.org/pdbjplus/data/cc/svg/OZE.svg) | OZE | Name: | (((R)-1-(((benzyloxy)carbonyl)amino)-2-phenylethyl)oxidophosphoryl)glycyl-L-leucinate | Formula: | C24 H32 N3 O7 P | SMILES: | CC(C)C[CH](NC(=O)CN[P](O)(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O)=O | InChi: | InChI=1S/C24H32N3O7P/c1-17(2)13-20(23(29)30)26-21(28)15-25-35(32,33)22(14-18-9-5-3-6-10-18)27-24(31)34-16-19-11-7-4-8-12-19/h3-12,17,20,22H,13-16H2,1-2H3,(H,26,28)(H,27,31)(H,29,30)(H2,25,32,33)/t20-,22+/m0/s1 | Synonyms: | (2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{R})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]p
entanoic acid | Definition date: | 2020-04-09 | Last modified: | 2021-04-16 | Release date: | 2021-04-21 | Identifier: | (2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{R})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid |
|
![OZH OZH](https://data.pdbj.org/pdbjplus/data/cc/svg/OZH.svg) | OZH | Name: | (2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid | Formula: | C24 H32 N3 O7 P | SMILES: | CC(C)C[CH](NC(=O)CN[P](O)(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O)=O | InChi: | InChI=1S/C24H32N3O7P/c1-17(2)13-20(23(29)30)26-21(28)15-25-35(32,33)22(14-18-9-5-3-6-10-18)27-24(31)34-16-19-11-7-4-8-12-19/h3-12,17,20,22H,13-16H2,1-2H3,(H,26,28)(H,27,31)(H,29,30)(H2,25,32,33)/t20-,22-/m0/s1 | Definition date: | 2020-04-09 | Last modified: | 2021-04-16 | Release date: | 2021-04-21 | Identifier: | (2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid |
|
![PJ8 PJ8](https://data.pdbj.org/pdbjplus/data/cc/svg/PJ8.svg) | PJ8 | Name: | heptadecane | Formula: | C17 H36 | SMILES: | CCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3 | Definition date: | 2020-04-20 | Last modified: | 2021-04-16 | Release date: | 2021-04-21 | Identifier: | heptadecane |
|
![PWE PWE](https://data.pdbj.org/pdbjplus/data/cc/svg/PWE.svg) | PWE | Name: | (2R)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1S,2S,3S,4S,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl hexadecanoate | Formula: | C29 H56 O16 P2 | SMILES: | C1(C(C(OP(O)(O)=O)C(O)C(C1O)O)O)OP(O)(=O)OCC(COC(CCC)=O)OC(CCCCCCCCCCCCCCC)=O | InChi: | InChI=1S/C29H56O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-23(31)43-21(19-41-22(30)17-4-2)20-42-47(39,40)45-29-26(34)24(32)25(33)28(27(29)35)44-46(36,37)38/h21,24-29,32-35H,3-20H2,1-2H3,(H,39,40)(H2,36,37,38)/t21-,24+,25+,26+,27-,28+,29+/m1/s1 | Definition date: | 2020-04-09 | Last modified: | 2021-04-16 | Release date: | 2021-04-21 | Identifier: | (2R)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1S,2S,3S,4S,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl hexadecanoate |
|
![F9X F9X](https://data.pdbj.org/pdbjplus/data/cc/svg/F9X.svg) | F9X | Name: | (2S,3R)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-pentanoic acid | Formula: | C13 H21 N2 O8 P | SMILES: | CC[CH](O)[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O | InChi: | InChI=1S/C13H21N2O8P/c1-3-10(16)11(13(18)19)15-5-9-8(6-23-24(20,21)22)4-14-7(2)12(9)17/h4,10-11,15-17H,3,5-6H2,1-2H3,(H,18,19)(H2,20,21,22)/t10-,11+/m1/s1 | Definition date: | 2020-04-22 | Last modified: | 2021-04-16 | Release date: | 2021-04-21 | Identifier: | (2~{S},3~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-pentanoic acid |
|
![GXU GXU](https://data.pdbj.org/pdbjplus/data/cc/svg/GXU.svg) | GXU | Name: | 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione | Formula: | C20 H19 N4 O3 | SMILES: | COCCn1c(C)[n+](Cc2cnccn2)c3C(=O)c4ccccc4C(=O)c13 | InChi: | InChI=1S/C20H19N4O3/c1-13-23(9-10-27-2)17-18(24(13)12-14-11-21-7-8-22-14)20(26)16-6-4-3-5-15(16)19(17)25/h3-8,11H,9-10,12H2,1-2H3/q+1 | Definition date: | 2020-10-08 | Last modified: | 2021-04-16 | Release date: | 2021-04-21 | Identifier: | 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione |
|
![J41 J41](https://data.pdbj.org/pdbjplus/data/cc/svg/J41.svg) | J41 | Name: | 5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one | Formula: | C19 H15 N3 O | SMILES: | c4cccc(c3c1n(C(C=C(N1)C)=O)nc3c2ccccc2)c4 | InChi: | InChI=1S/C19H15N3O/c1-13-12-16(23)22-19(20-13)17(14-8-4-2-5-9-14)18(21-22)15-10-6-3-7-11-15/h2-12,20H,1H3 | Definition date: | 2018-08-08 | Last modified: | 2021-04-16 | Release date: | 2021-04-21 | Identifier: | 5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one |
|
![J4A J4A](https://data.pdbj.org/pdbjplus/data/cc/svg/J4A.svg) | J4A | Name: | 6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one | Formula: | C24 H24 N4 O2 | SMILES: | c5(ccc(C3=C(Nc2c(c(c1ccccc1)nn2C3=O)N4CCCCC4)C)cc5)O | InChi: | InChI=1S/C24H24N4O2/c1-16-20(17-10-12-19(29)13-11-17)24(30)28-23(25-16)22(27-14-6-3-7-15-27)21(26-28)18-8-4-2-5-9-18/h2,4-5,8-13,25,29H,3,6-7,14-15H2,1H3 | Definition date: | 2018-08-08 | Last modified: | 2021-04-16 | Release date: | 2021-04-21 | Identifier: | 6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one |
|
![J4U J4U](https://data.pdbj.org/pdbjplus/data/cc/svg/J4U.svg) | J4U | Name: | (2~{R},3~{S},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-6-[2-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-4-[(1~{R},2~{R},4~{S},5'~{R},6~{R},7~{R},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxy-butoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol | Formula: | C56 H92 O25 | SMILES: | C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC=C6C[CH](CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C)OCC[CH](CO[CH]7O[CH](CO)[CH](O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O)[CH](O)[CH]7O)CO[CH]9O[CH](CO)[CH](O[CH]%10O[CH](CO)[CH](O)[CH](O)[CH]%10O)[CH](O)[CH]9O | InChi: | InChI=1S/C56H92O25/c1-24-7-13-56(74-21-24)25(2)37-32(81-56)16-31-29-6-5-27-15-28(8-11-54(27,3)30(29)9-12-55(31,37)4)71-14-10-26(22-72-50-46(69)42(65)48(35(19-59)77-50)79-52-44(67)40(63)38(61)33(17-57)75-52)23-73-51-47(70)43(66)49(36(20-60)78-51)80-53-45(68)41(64)39(62)34(18-58)76-53/h5,24-26,28-53,57-70H,6-23H2,1-4H3/t24-,25-,26-,28+,29+,30+,31-,32+,33-,34-,35-,36+,37+,38-,39-,40+,41+,42-,43-,44+,45-,46-,47+,48-,49+,50-,51-,52+,53+,54+,55+,56-/m1/s1 | Definition date: | 2021-04-08 | Last modified: | 2021-04-16 | Release date: | 2021-04-21 | Identifier: | (2~{R},3~{S},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-6-[2-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-4-[(1~{R},2~{R},4~{S},5'~{R},6~{R},7~{R},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxy-butoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol |
|
![FX6 FX6](https://data.pdbj.org/pdbjplus/data/cc/svg/FX6.svg) | FX6 | Name: | (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid | Formula: | C9 H11 N5 O2 S | SMILES: | CC[CH](Sc1[nH]c2ncnc(N)c2n1)C(O)=O | InChi: | InChI=1S/C9H11N5O2S/c1-2-4(8(15)16)17-9-13-5-6(10)11-3-12-7(5)14-9/h3-4H,2H2,1H3,(H,15,16)(H3,10,11,12,13,14)/t4-/m0/s1 | Definition date: | 2020-06-30 | Last modified: | 2021-04-16 | Release date: | 2021-04-21 | Identifier: | (2~{S})-2-[(6-azanyl-9~{H}-purin-8-yl)sulfanyl]butanoic acid |
|
![LQ4 LQ4](https://data.pdbj.org/pdbjplus/data/cc/svg/LQ4.svg) | LQ4 | Name: | piperlongumine | Formula: | C17 H19 N O5 | SMILES: | C2C=CC(N(C([C@H]=[C@H]c1cc(OC)c(c(c1)OC)OC)=O)C2)=O | InChi: | InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+ | Synonyms: | 1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2(1H)-one | Definition date: | 2019-03-08 | Last modified: | 2021-04-16 | Release date: | 2021-04-21 | Identifier: | 1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2(1H)-one |
|
![EZ3 EZ3](https://data.pdbj.org/pdbjplus/data/cc/svg/EZ3.svg) | EZ3 | Name: | (3R)-3-[(R)-[(2R,6S)-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one | Formula: | C16 H20 O6 | SMILES: | C[CH]1CCC[CH](O1)[CH](O)[CH]2Cc3cc(O)cc(O)c3C(=O)O2 | InChi: | InChI=1S/C16H20O6/c1-8-3-2-4-12(21-8)15(19)13-6-9-5-10(17)7-11(18)14(9)16(20)22-13/h5,7-8,12-13,15,17-19H,2-4,6H2,1H3/t8-,12+,13+,15+/m0/s1 | Definition date: | 2020-02-26 | Last modified: | 2021-04-16 | Release date: | 2021-04-21 | Identifier: | (3~{R})-3-[(~{R})-[(2~{R},6~{S})-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one |
|
![N8S N8S](https://data.pdbj.org/pdbjplus/data/cc/svg/N8S.svg) | N8S | Name: | 4-amino-N-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)quinazoline-8-carboxamide | Formula: | C26 H20 Cl F2 N7 O3 S | SMILES: | c5c(c2cc1c(ncnc1c(c2)C(Nc3c(Cl)ccc(c3F)NS(c4c(cccc4)F)(=O)=O)=O)N)c(C)nn5C | InChi: | InChI=1S/C26H20ClF2N7O3S/c1-13-17(11-36(2)34-13)14-9-15-23(31-12-32-25(15)30)16(10-14)26(37)33-24-18(27)7-8-20(22(24)29)35-40(38,39)21-6-4-3-5-19(21)28/h3-12,35H,1-2H3,(H,33,37)(H2,30,31,32) | Definition date: | 2019-05-08 | Last modified: | 2021-04-16 | Release date: | 2021-04-21 | Identifier: | 4-amino-N-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)quinazoline-8-carboxamide |
|
![N94 N94](https://data.pdbj.org/pdbjplus/data/cc/svg/N94.svg) | N94 | Name: | 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide | Formula: | C19 H18 Cl F N6 O3 S | SMILES: | c3(ccc(Cl)c(NC(=O)c1cccc2c1ncnc2N)c3F)NS(=O)(=O)N4CCCC4 | InChi: | InChI=1S/C19H18ClFN6O3S/c20-13-6-7-14(26-31(29,30)27-8-1-2-9-27)15(21)17(13)25-19(28)12-5-3-4-11-16(12)23-10-24-18(11)22/h3-7,10,26H,1-2,8-9H2,(H,25,28)(H2,22,23,24) | Definition date: | 2019-05-08 | Last modified: | 2021-04-16 | Release date: | 2021-04-21 | Identifier: | 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide |
|
![N97 N97](https://data.pdbj.org/pdbjplus/data/cc/svg/N97.svg) | N97 | Name: | 4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide | Formula: | C25 H22 Cl F3 N6 O3 S2 | SMILES: | c1(cc(ccc1F)F)S(Nc2c(c(c(cc2)Cl)NC(=O)c3csc4c3ncnc4NC5CCC(CC5)N)F)(=O)=O | InChi: | InChI=1S/C25H22ClF3N6O3S2/c26-16-6-8-18(35-40(37,38)19-9-12(27)1-7-17(19)28)20(29)22(16)34-25(36)15-10-39-23-21(15)31-11-32-24(23)33-14-4-2-13(30)3-5-14/h1,6-11,13-14,35H,2-5,30H2,(H,34,36)(H,31,32,33)/t13-,14- | Definition date: | 2019-05-08 | Last modified: | 2021-04-16 | Release date: | 2021-04-21 | Identifier: | 4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide |
|
![XBM XBM](https://data.pdbj.org/pdbjplus/data/cc/svg/XBM.svg) | XBM | Name: | N-[(3,5-dichlorophenyl)sulfonyl]-L-phenylalanyl-N-hydroxy-L-valinamide | Formula: | C20 H23 Cl2 N3 O5 S | SMILES: | C(C(NC(C(C)C)C(NO)=O)=O)(Cc1ccccc1)NS(=O)(=O)c2cc(cc(c2)Cl)Cl | InChi: | InChI=1S/C20H23Cl2N3O5S/c1-12(2)18(20(27)24-28)23-19(26)17(8-13-6-4-3-5-7-13)25-31(29,30)16-10-14(21)9-15(22)11-16/h3-7,9-12,17-18,25,28H,8H2,1-2H3,(H,23,26)(H,24,27)/t17-,18-/m0/s1 | Definition date: | 2020-12-08 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | N-[(3,5-dichlorophenyl)sulfonyl]-L-phenylalanyl-N-hydroxy-L-valinamide |
|
![QMK QMK](https://data.pdbj.org/pdbjplus/data/cc/svg/QMK.svg) | QMK | Name: | ~{N}-[2-[1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-1,2,3-triazol-4-yl]ethyl]ethanamide | Formula: | C11 H19 N4 O8 P | SMILES: | CC(=O)NCCc1cn(nn1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O | InChi: | InChI=1S/C11H19N4O8P/c1-6(16)12-3-2-7-4-15(14-13-7)11-10(18)9(17)8(23-11)5-22-24(19,20)21/h4,8-11,17-18H,2-3,5H2,1H3,(H,12,16)(H2,19,20,21)/t8-,9-,10-,11-/m1/s1 | Definition date: | 2020-07-03 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[4-(2-acetamidoethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
|
![XC1 XC1](https://data.pdbj.org/pdbjplus/data/cc/svg/XC1.svg) | XC1 | Name: | N-[(3,5-dichlorophenyl)sulfonyl]-L-isoleucyl-N-hydroxy-L-norvalinamide | Formula: | C17 H25 Cl2 N3 O5 S | SMILES: | C(C(CC)C)(C(=O)NC(C(=O)NO)CCC)NS(c1cc(cc(c1)Cl)Cl)(=O)=O | InChi: | InChI=1S/C17H25Cl2N3O5S/c1-4-6-14(16(23)21-25)20-17(24)15(10(3)5-2)22-28(26,27)13-8-11(18)7-12(19)9-13/h7-10,14-15,22,25H,4-6H2,1-3H3,(H,20,24)(H,21,23)/t10-,14-,15-/m0/s1 | Definition date: | 2020-12-09 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | N-[(3,5-dichlorophenyl)sulfonyl]-L-isoleucyl-N-hydroxy-L-norvalinamide |
|
![R2F R2F](https://data.pdbj.org/pdbjplus/data/cc/svg/R2F.svg) | R2F | Name: | 2-[2-[4-[[(2R,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate | Formula: | C41 H53 N5 O9 | SMILES: | CCN(CC)c1ccc2C(c3ccc(cc3Oc2c1)N(CC)CC)c4ccccc4C(=O)OCCOCCn5cc(CO[CH]6O[CH](C)[CH](O)[CH](O)[CH]6O)nn5 | InChi: | InChI=1S/C41H53N5O9/c1-6-44(7-2)28-14-16-32-34(22-28)55-35-23-29(45(8-3)9-4)15-17-33(35)36(32)30-12-10-11-13-31(30)40(50)52-21-20-51-19-18-46-24-27(42-43-46)25-53-41-39(49)38(48)37(47)26(5)54-41/h10-17,22-24,26,36-39,41,47-49H,6-9,18-21,25H2,1-5H3/t26-,37+,38+,39-,41+/m0/s1 | Definition date: | 2021-03-03 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | 2-[2-[4-[[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9~{H}-xanthen-9-yl]benzoate |
|
![R3F R3F](https://data.pdbj.org/pdbjplus/data/cc/svg/R3F.svg) | R3F | Name: | 2-[2-[2-[4-[[(2R,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate | Formula: | C43 H57 N5 O10 | SMILES: | CCN(CC)c1ccc2C(c3ccc(cc3Oc2c1)N(CC)CC)c4ccccc4C(=O)OCCOCCOCCn5cc(CO[CH]6O[CH](C)[CH](O)[CH](O)[CH]6O)nn5 | InChi: | InChI=1S/C43H57N5O10/c1-6-46(7-2)30-14-16-34-36(24-30)58-37-25-31(47(8-3)9-4)15-17-35(37)38(34)32-12-10-11-13-33(32)42(52)55-23-22-54-21-20-53-19-18-48-26-29(44-45-48)27-56-43-41(51)40(50)39(49)28(5)57-43/h10-17,24-26,28,38-41,43,49-51H,6-9,18-23,27H2,1-5H3/t28-,39+,40+,41-,43+/m0/s1 | Definition date: | 2021-03-03 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | 2-[2-[2-[4-[[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9~{H}-xanthen-9-yl]benzoate |
|
![UFY UFY](https://data.pdbj.org/pdbjplus/data/cc/svg/UFY.svg) | UFY | Name: | N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide | Formula: | C19 H25 B N4 O4 | SMILES: | c1cncc(n1)C(NC(Cc2ccccc2)C(=O)NC(CC(C)C)B(O)O)=O | InChi: | InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m1/s1 | Definition date: | 2020-05-15 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide |
|
![U3A U3A](https://data.pdbj.org/pdbjplus/data/cc/svg/U3A.svg) | U3A | Name: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide | Formula: | C20 H17 F3 N4 O4 | SMILES: | C=2(NC(c1ccccc1C(F)(F)F)=NC(C=2O)=O)C(NCCc3ccnc(c3)OC)=O | InChi: | InChI=1S/C20H17F3N4O4/c1-31-14-10-11(6-8-24-14)7-9-25-18(29)15-16(28)19(30)27-17(26-15)12-4-2-3-5-13(12)20(21,22)23/h2-6,8,10,28H,7,9H2,1H3,(H,25,29)(H,26,27,30) | Definition date: | 2020-04-10 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide |
|
![RAH RAH](https://data.pdbj.org/pdbjplus/data/cc/svg/RAH.svg) | RAH | Name: | [(2~{S},3~{S},4~{S},5~{R})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid | Formula: | C6 H13 O11 P S | SMILES: | O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1C[S](O)(=O)=O | InChi: | InChI=1S/C6H13O11PS/c7-4-3(1-19(13,14)15)17-6(9,5(4)8)2-16-18(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H,13,14,15)/t3-,4-,5+,6-/m1/s1 | Synonyms: | 6-deoxy-6-sulfo-D-fructose 1-phosphate | Definition date: | 2020-09-22 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | [(2~{S},3~{S},4~{S},5~{R})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid |
|
![RB8 RB8](https://data.pdbj.org/pdbjplus/data/cc/svg/RB8.svg) | RB8 | Name: | 6-deoxy-6-sulfo-D-fructose | Formula: | C6 H12 O8 S | SMILES: | OC[C]1(O)O[CH](C[S](O)(=O)=O)[CH](O)[CH]1O | InChi: | InChI=1S/C6H12O8S/c7-2-6(10)5(9)4(8)3(14-6)1-15(11,12)13/h3-5,7-10H,1-2H2,(H,11,12,13)/t3-,4-,5+,6-/m1/s1 | Synonyms: | [(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]methanesulfonic acid | Definition date: | 2020-09-23 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | [(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]methanesulfonic acid |
|
![UKS UKS](https://data.pdbj.org/pdbjplus/data/cc/svg/UKS.svg) | UKS | Name: | [(1R)-4-phenyl-1-{[N-(pyrazine-2-carbonyl)-D-norvalyl]amino}butyl]boronic acid | Formula: | C20 H27 B N4 O4 | SMILES: | C(CCC)(NC(c1cnccn1)=O)C(=O)NC(B(O)O)CCCc2ccccc2 | InChi: | InChI=1S/C20H27BN4O4/c1-2-7-16(24-20(27)17-14-22-12-13-23-17)19(26)25-18(21(28)29)11-6-10-15-8-4-3-5-9-15/h3-5,8-9,12-14,16,18,28-29H,2,6-7,10-11H2,1H3,(H,24,27)(H,25,26)/t16-,18+/m1/s1 | Definition date: | 2020-05-20 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | [(1R)-4-phenyl-1-{[N-(pyrazine-2-carbonyl)-D-norvalyl]amino}butyl]boronic acid |
|