![1RI 1RI](https://data.pdbj.org/pdbjplus/data/cc/svg/1RI.svg) | 1RI | Name: | 3-phenoxy-~{N}-[(~{E})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide | Formula: | C22 H16 N4 O3 S | SMILES: | O=C(NN=Cc1oc(Sc2ncccn2)cc1)c3cccc(Oc4ccccc4)c3 | InChi: | InChI=1S/C22H16N4O3S/c27-21(16-6-4-9-18(14-16)28-17-7-2-1-3-8-17)26-25-15-19-10-11-20(29-19)30-22-23-12-5-13-24-22/h1-15H,(H,26,27)/b25-15+ | Definition date: | 2021-07-06 | Last modified: | 2021-12-24 | Release date: | 2021-12-29 | Identifier: | 3-phenoxy-~{N}-[(~{E})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide |
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![1SI 1SI](https://data.pdbj.org/pdbjplus/data/cc/svg/1SI.svg) | 1SI | Name: | 3-fluoranyl-~{N}-[(~{E})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide | Formula: | C17 H12 F N3 O2 S | SMILES: | Fc1cccc(c1)C(=O)NN=Cc2oc(Sc3ccccn3)cc2 | InChi: | InChI=1S/C17H12FN3O2S/c18-13-5-3-4-12(10-13)17(22)21-20-11-14-7-8-16(23-14)24-15-6-1-2-9-19-15/h1-11H,(H,21,22)/b20-11+ | Definition date: | 2021-07-06 | Last modified: | 2021-12-24 | Release date: | 2021-12-29 | Identifier: | 3-fluoranyl-~{N}-[(~{E})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide |
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![1K8 1K8](https://data.pdbj.org/pdbjplus/data/cc/svg/1K8.svg) | 1K8 | Name: | 3-chloranyl-2-piperazin-1-yl-quinoline | Formula: | C13 H14 Cl N3 | SMILES: | Clc1cc2ccccc2nc1N3CCNCC3 | InChi: | InChI=1S/C13H14ClN3/c14-11-9-10-3-1-2-4-12(10)16-13(11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2 | Synonyms: | BDM88855 | Definition date: | 2021-06-13 | Last modified: | 2021-12-24 | Release date: | 2021-12-29 | Identifier: | 3-chloranyl-2-piperazin-1-yl-quinoline |
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![05C 05C](https://data.pdbj.org/pdbjplus/data/cc/svg/05C.svg) | 05C | Name: | 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine | Formula: | C29 H38 N6 O | SMILES: | C[CH]1CNCCN1c2nc(OC[CH]3CCCN3C)nc4CN(CCc24)c5cccc6cccc(C)c56 | InChi: | InChI=1S/C29H38N6O/c1-20-7-4-8-22-9-5-11-26(27(20)22)34-15-12-24-25(18-34)31-29(36-19-23-10-6-14-33(23)3)32-28(24)35-16-13-30-17-21(35)2/h4-5,7-9,11,21,23,30H,6,10,12-19H2,1-3H3/t21-,23+/m1/s1 | Definition date: | 2021-06-01 | Last modified: | 2021-12-24 | Release date: | 2021-12-29 | Identifier: | 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine |
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![05F 05F](https://data.pdbj.org/pdbjplus/data/cc/svg/05F.svg) | 05F | Name: | 4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine | Formula: | C30 H38 N6 O | SMILES: | CN1CCC[CH]1COc2nc3CN(CCc3c(n2)N4[CH]5CC[CH]4CNC5)c6cccc7cccc(C)c67 | InChi: | InChI=1S/C30H38N6O/c1-20-6-3-7-21-8-4-10-27(28(20)21)35-15-13-25-26(18-35)32-30(37-19-24-9-5-14-34(24)2)33-29(25)36-22-11-12-23(36)17-31-16-22/h3-4,6-8,10,22-24,31H,5,9,11-19H2,1-2H3/t22-,23+,24-/m0/s1 | Definition date: | 2021-06-01 | Last modified: | 2021-12-24 | Release date: | 2021-12-29 | Identifier: | 4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine |
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![05I 05I](https://data.pdbj.org/pdbjplus/data/cc/svg/05I.svg) | 05I | Name: | 4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine | Formula: | C30 H38 N6 O | SMILES: | CN1CCC[CH]1COc2nc3CN(CCc3c(n2)N4C[CH]5CC[CH](C4)N5)c6cccc7cccc(C)c67 | InChi: | InChI=1S/C30H38N6O/c1-20-6-3-7-21-8-4-10-27(28(20)21)35-15-13-25-26(18-35)32-30(37-19-24-9-5-14-34(24)2)33-29(25)36-16-22-11-12-23(17-36)31-22/h3-4,6-8,10,22-24,31H,5,9,11-19H2,1-2H3/t22-,23+,24-/m0/s1 | Definition date: | 2021-06-01 | Last modified: | 2021-12-24 | Release date: | 2021-12-29 | Identifier: | 4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine |
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![4IX 4IX](https://data.pdbj.org/pdbjplus/data/cc/svg/4IX.svg) | 4IX | Name: | (2R,3R,4S,5S,6R)-2-[4-[1-[3-[6-[(Z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]propyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | Formula: | C21 H31 N5 O8 | SMILES: | OC[CH]1O[CH](OCCCCc2cn(CCCc3ccc(O)c(C=NO)n3)nn2)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C21H31N5O8/c27-12-17-18(29)19(30)20(31)21(34-17)33-9-2-1-4-14-11-26(25-24-14)8-3-5-13-6-7-16(28)15(23-13)10-22-32/h6-7,10-11,17-21,27-32H,1-5,8-9,12H2/b22-10-/t17-,18-,19+,20-,21-/m1/s1 | Definition date: | 2021-07-02 | Last modified: | 2021-12-24 | Release date: | 2021-12-29 | Identifier: | (2~{R},3~{R},4~{S},5~{S},6~{R})-2-[4-[1-[3-[6-[(~{Z})-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]propyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
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![XCJ XCJ](https://data.pdbj.org/pdbjplus/data/cc/svg/XCJ.svg) | XCJ | Name: | N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide | Formula: | C17 H14 N4 O3 S3 | SMILES: | CS(c1ccc2c(c1)sc(n2)NC(Cc3csc(n3)n4cccc4)=O)(=O)=O | InChi: | InChI=1S/C17H14N4O3S3/c1-27(23,24)12-4-5-13-14(9-12)26-16(19-13)20-15(22)8-11-10-25-17(18-11)21-6-2-3-7-21/h2-7,9-10H,8H2,1H3,(H,19,20,22) | Definition date: | 2020-12-11 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide |
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![T3B T3B](https://data.pdbj.org/pdbjplus/data/cc/svg/T3B.svg) | T3B | Name: | 2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide | Formula: | C30 H31 N5 O5 S2 | SMILES: | CC(C)C(=O)Nc1sc(cn1)C(=O)NCCN(Cc2ccccc2)C(=O)c3ccc(cc3)[S](=O)(=O)Nc4ccccc4 | InChi: | InChI=1S/C30H31N5O5S2/c1-21(2)27(36)33-30-32-19-26(41-30)28(37)31-17-18-35(20-22-9-5-3-6-10-22)29(38)23-13-15-25(16-14-23)42(39,40)34-24-11-7-4-8-12-24/h3-16,19,21,34H,17-18,20H2,1-2H3,(H,31,37)(H,32,33,36) | Definition date: | 2020-12-14 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | 2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide |
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![XFS XFS](https://data.pdbj.org/pdbjplus/data/cc/svg/XFS.svg) | XFS | Name: | 3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid | Formula: | C20 H14 O5 | SMILES: | c1(cc(ccc1)C(O)=O)C#Cc2oc3c(c2CC(O)=O)cc(C)cc3 | InChi: | InChI=1S/C20H14O5/c1-12-5-7-17-15(9-12)16(11-19(21)22)18(25-17)8-6-13-3-2-4-14(10-13)20(23)24/h2-5,7,9-10H,11H2,1H3,(H,21,22)(H,23,24) | Definition date: | 2020-12-16 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | 3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid |
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![ZJ1 ZJ1](https://data.pdbj.org/pdbjplus/data/cc/svg/ZJ1.svg) | ZJ1 | Name: | (2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide | Formula: | C25 H35 N3 O3 S | SMILES: | CC(C)(C)c1ccc(cc1)N(C(c1cccnc1)C(=O)NC1CCCCC1)S(=O)(=O)CC | InChi: | InChI=1S/C25H35N3O3S/c1-5-32(30,31)28(22-15-13-20(14-16-22)25(2,3)4)23(19-10-9-17-26-18-19)24(29)27-21-11-7-6-8-12-21/h9-10,13-18,21,23H,5-8,11-12H2,1-4H3,(H,27,29)/t23-/m1/s1 | Definition date: | 2021-04-29 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | (2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide |
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![XHY XHY](https://data.pdbj.org/pdbjplus/data/cc/svg/XHY.svg) | XHY | Name: | 4-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid | Formula: | C20 H14 O5 | SMILES: | c1(ccc(C(O)=O)cc1)C#Cc2oc3c(c2CC(O)=O)cc(C)cc3 | InChi: | InChI=1S/C20H14O5/c1-12-2-8-17-15(10-12)16(11-19(21)22)18(25-17)9-5-13-3-6-14(7-4-13)20(23)24/h2-4,6-8,10H,11H2,1H3,(H,21,22)(H,23,24) | Definition date: | 2020-12-17 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | 4-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid |
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![WOG WOG](https://data.pdbj.org/pdbjplus/data/cc/svg/WOG.svg) | WOG | Name: | (2E)-3-methylhept-2-en-1-yl dihydrogen phosphate | Formula: | C8 H17 O4 P | SMILES: | OP(O)(=O)OCC=C(/C)CCCC | InChi: | InChI=1S/C8H17O4P/c1-3-4-5-8(2)6-7-12-13(9,10)11/h6H,3-5,7H2,1-2H3,(H2,9,10,11)/b8-6+ | Definition date: | 2021-02-09 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | (2E)-3-methylhept-2-en-1-yl dihydrogen phosphate |
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![Y77 Y77](https://data.pdbj.org/pdbjplus/data/cc/svg/Y77.svg) | Y77 | Name: | [(~{Z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] dihydrogen phosphate | Formula: | C6 H13 N3 O4 P | SMILES: | CC(CCN=[N]=N)=CCO[P](O)(O)=O | InChi: | InChI=1S/C6H13N3O4P/c1-6(2-4-8-9-7)3-5-13-14(10,11)12/h3,7H,2,4-5H2,1H3,(H2,10,11,12)/b6-3- | Definition date: | 2021-02-09 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | [(~{Z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] dihydrogen phosphate |
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![Y7D Y7D](https://data.pdbj.org/pdbjplus/data/cc/svg/Y7D.svg) | Y7D | Name: | (2Z)-3-methylhept-2-en-1-yl trihydrogen diphosphate | Formula: | C8 H18 O7 P2 | SMILES: | O=P(O)(O)OP(O)(=O)OCC=C(C)CCCC | InChi: | InChI=1S/C8H18O7P2/c1-3-4-5-8(2)6-7-14-17(12,13)15-16(9,10)11/h6H,3-5,7H2,1-2H3,(H,12,13)(H2,9,10,11)/b8-6- | Definition date: | 2021-02-09 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | (2Z)-3-methylhept-2-en-1-yl trihydrogen diphosphate |
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![XQ4 XQ4](https://data.pdbj.org/pdbjplus/data/cc/svg/XQ4.svg) | XQ4 | Name: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methylamino)propanoyl]amino}propanoate (non-preferred name) | Formula: | C36 H51 Cl N4 O10 | SMILES: | N1(C(CC(C4(C(C(C3CC(C(OC)C=CC=C(C)Cc2cc(OC)c(Cl)c1c2)(NC(=O)O3)O)C)O4)C)OC(=O)C(C)N(C)C(CCNC)=O)=O)C | InChi: | InChI=1S/C36H51ClN4O10/c1-20-11-10-12-27(48-9)36(46)19-26(49-34(45)39-36)21(2)32-35(4,51-32)28(50-33(44)22(3)40(6)29(42)13-14-38-5)18-30(43)41(7)24-16-23(15-20)17-25(47-8)31(24)37/h10-12,16-17,21-22,26-28,32,38,46H,13-15,18-19H2,1-9H3,(H,39,45)/b12-10+,20-11+/t21-,22+,26+,27-,28+,32+,35+,36+/m1/s1 | Definition date: | 2020-12-30 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methylamino)propanoyl]amino}propanoate (non-preferred name) |
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![7IZ 7IZ](https://data.pdbj.org/pdbjplus/data/cc/svg/7IZ.svg) | 7IZ | Name: | 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine | Formula: | C27 H28 Cl F N6 O | SMILES: | CN1CCCC1COc1nc2c(F)c(ncc2c(n1)N1CCNCC1)c1cccc2cccc(Cl)c21 | InChi: | InChI=1S/C27H28ClFN6O/c1-34-12-4-7-18(34)16-36-27-32-25-20(26(33-27)35-13-10-30-11-14-35)15-31-24(23(25)29)19-8-2-5-17-6-3-9-21(28)22(17)19/h2-3,5-6,8-9,15,18,30H,4,7,10-14,16H2,1H3/t18-/m0/s1 | Definition date: | 2021-08-13 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine |
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![C7A C7A](https://data.pdbj.org/pdbjplus/data/cc/svg/C7A.svg) | C7A | Name: | N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide | Formula: | C25 H32 Cl N3 O2 | SMILES: | CC(C)(C)c1ccc(cc1)N(C(=O)CCl)C(c1cccnc1)C(=O)NC1CCCCC1 | InChi: | InChI=1S/C25H32ClN3O2/c1-25(2,3)19-11-13-21(14-12-19)29(22(30)16-26)23(18-8-7-15-27-17-18)24(31)28-20-9-5-4-6-10-20/h7-8,11-15,17,20,23H,4-6,9-10,16H2,1-3H3,(H,28,31)/t23-/m1/s1 | Definition date: | 2021-04-29 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide |
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![FZI FZI](https://data.pdbj.org/pdbjplus/data/cc/svg/FZI.svg) | FZI | Name: | (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid | Formula: | C23 H38 N4 O10 S | SMILES: | CC(C)(C)OC(=O)N1CC(COC(=O)NC(CC(C)C)C(=O)NC(CC2C=CNC2=O)C(O)S(=O)(=O)O)C1 | InChi: | InChI=1S/C23H38N4O10S/c1-13(2)8-16(26-21(31)36-12-14-10-27(11-14)22(32)37-23(3,4)5)19(29)25-17(20(30)38(33,34)35)9-15-6-7-24-18(15)28/h6-7,13-17,20,30H,8-12H2,1-5H3,(H,24,28)(H,25,29)(H,26,31)(H,33,34,35)/t15-,16-,17-,20?/m0/s1 | Definition date: | 2021-12-15 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid |
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![G5R G5R](https://data.pdbj.org/pdbjplus/data/cc/svg/G5R.svg) | G5R | Name: | 1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea | Formula: | C27 H41 N5 O4 | SMILES: | COc1cc(ccc1OCCN2CCOCC2)N(CC3CCCC3)C(=O)NCCCn4cncc4C | InChi: | InChI=1S/C27H41N5O4/c1-22-19-28-21-31(22)11-5-10-29-27(33)32(20-23-6-3-4-7-23)24-8-9-25(26(18-24)34-2)36-17-14-30-12-15-35-16-13-30/h8-9,18-19,21,23H,3-7,10-17,20H2,1-2H3,(H,29,33) | Definition date: | 2020-07-28 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | 1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea |
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![F8C F8C](https://data.pdbj.org/pdbjplus/data/cc/svg/F8C.svg) | F8C | Name: | (1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C26 H44 N4 O9 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)C(C)C)C1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C26H44N4O9S/c1-15(2)11-19(22(32)28-20(24(34)40(36,37)38)12-17-5-8-27-21(17)31)29-25(35)39-18-13-26(14-18)6-9-30(10-7-26)23(33)16(3)4/h15-20,24,34H,5-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,35)(H,36,37,38)/t17-,19-,20-,24-/m0/s1 | Definition date: | 2021-12-14 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | (1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![FEY FEY](https://data.pdbj.org/pdbjplus/data/cc/svg/FEY.svg) | FEY | Name: | (1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C30 H44 N4 O9 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)Cc2ccccc2)C1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C30H44N4O9S/c1-19(2)14-23(27(37)32-24(28(38)44(40,41)42)16-21-8-11-31-26(21)36)33-29(39)43-22-17-30(18-22)9-12-34(13-10-30)25(35)15-20-6-4-3-5-7-20/h3-7,19,21-24,28,38H,8-18H2,1-2H3,(H,31,36)(H,32,37)(H,33,39)(H,40,41,42)/t21-,23-,24-,28+/m0/s1 | Definition date: | 2021-12-15 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid |
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![FHS FHS](https://data.pdbj.org/pdbjplus/data/cc/svg/FHS.svg) | FHS | Name: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid | Formula: | C30 H44 N4 O9 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)Cc2ccccc2)C1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C30H44N4O9S/c1-19(2)14-23(27(37)32-24(28(38)44(40,41)42)16-21-8-11-31-26(21)36)33-29(39)43-22-17-30(18-22)9-12-34(13-10-30)25(35)15-20-6-4-3-5-7-20/h3-7,19,21-24,28,38H,8-18H2,1-2H3,(H,31,36)(H,32,37)(H,33,39)(H,40,41,42)/t21-,23-,24-,28-/m0/s1 | Definition date: | 2021-12-15 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid |
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![FIK FIK](https://data.pdbj.org/pdbjplus/data/cc/svg/FIK.svg) | FIK | Name: | (1S,2S)-2-[(N-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C24 H40 N4 O9 S | SMILES: | O=C(C(C)C)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1 | InChi: | InChI=1S/C24H40N4O9S/c1-13(2)7-17(20(30)26-18(22(32)38(34,35)36)8-15-5-6-25-19(15)29)27-23(33)37-16-9-24(10-16)11-28(12-24)21(31)14(3)4/h13-18,22,32H,5-12H2,1-4H3,(H,25,29)(H,26,30)(H,27,33)(H,34,35,36)/t15-,17-,18-,22-/m0/s1 | Definition date: | 2021-12-15 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | (1S,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![FIW FIW](https://data.pdbj.org/pdbjplus/data/cc/svg/FIW.svg) | FIW | Name: | (1R,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C24 H40 N4 O9 S | SMILES: | O=C(C(C)C)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1 | InChi: | InChI=1S/C24H40N4O9S/c1-13(2)7-17(20(30)26-18(22(32)38(34,35)36)8-15-5-6-25-19(15)29)27-23(33)37-16-9-24(10-16)11-28(12-24)21(31)14(3)4/h13-18,22,32H,5-12H2,1-4H3,(H,25,29)(H,26,30)(H,27,33)(H,34,35,36)/t15-,17-,18-,22+/m0/s1 | Definition date: | 2021-12-15 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | (1R,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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