![EO6 EO6](https://data.pdbj.org/pdbjplus/data/cc/svg/EO6.svg) | EO6 | Name: | (1R,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C23 H37 N5 O8 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C#N)C1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C23H37N5O8S/c1-14(2)9-17(27-22(32)36-16-11-23(12-16)4-7-28(13-24)8-5-23)20(30)26-18(21(31)37(33,34)35)10-15-3-6-25-19(15)29/h14-18,21,31H,3-12H2,1-2H3,(H,25,29)(H,26,30)(H,27,32)(H,33,34,35)/t15-,17-,18-,21+/m0/s1 | Definition date: | 2021-12-10 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | (1R,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![EQS EQS](https://data.pdbj.org/pdbjplus/data/cc/svg/EQS.svg) | EQS | Name: | (1S,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C23 H37 N5 O8 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C#N)C1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C23H37N5O8S/c1-14(2)9-17(27-22(32)36-16-11-23(12-16)4-7-28(13-24)8-5-23)20(30)26-18(21(31)37(33,34)35)10-15-3-6-25-19(15)29/h14-18,21,31H,3-12H2,1-2H3,(H,25,29)(H,26,30)(H,27,32)(H,33,34,35)/t15-,17-,18-,21-/m0/s1 | Definition date: | 2021-12-10 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | (1S,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![ESS ESS](https://data.pdbj.org/pdbjplus/data/cc/svg/ESS.svg) | ESS | Name: | (1R,2S)-2-[(N-{[(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: | C21 H36 N4 O10 S2 | SMILES: | O=S(C)(=O)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1 | InChi: | InChI=1S/C21H36N4O10S2/c1-12(2)6-15(24-20(29)35-14-8-21(9-14)10-25(11-21)36(3,30)31)18(27)23-16(19(28)37(32,33)34)7-13-4-5-22-17(13)26/h12-16,19,28H,4-11H2,1-3H3,(H,22,26)(H,23,27)(H,24,29)(H,32,33,34)/t13-,15-,16-,19+/m0/s1 | Definition date: | 2021-12-10 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | (1R,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-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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![ET6 ET6](https://data.pdbj.org/pdbjplus/data/cc/svg/ET6.svg) | ET6 | Name: | (1S,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C21 H36 N4 O10 S2 | SMILES: | O=S(C)(=O)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1 | InChi: | InChI=1S/C21H36N4O10S2/c1-12(2)6-15(24-20(29)35-14-8-21(9-14)10-25(11-21)36(3,30)31)18(27)23-16(19(28)37(32,33)34)7-13-4-5-22-17(13)26/h12-16,19,28H,4-11H2,1-3H3,(H,22,26)(H,23,27)(H,24,29)(H,32,33,34)/t13-,15-,16-,19-/m0/s1 | Definition date: | 2021-12-10 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | (1S,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-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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![WZT WZT](https://data.pdbj.org/pdbjplus/data/cc/svg/WZT.svg) | WZT | Name: | (phenylmethyl) dihydrogen phosphate | Formula: | C7 H9 O4 P | SMILES: | O[P](O)(=O)OCc1ccccc1 | InChi: | InChI=1S/C7H9O4P/c8-12(9,10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10) | Definition date: | 2021-02-09 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | (phenylmethyl) dihydrogen phosphate |
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![EW9 EW9](https://data.pdbj.org/pdbjplus/data/cc/svg/EW9.svg) | EW9 | Name: | (1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C27 H46 N4 O10 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)OC(C)(C)C)C1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C27H46N4O10S/c1-16(2)12-19(22(33)29-20(23(34)42(37,38)39)13-17-6-9-28-21(17)32)30-24(35)40-18-14-27(15-18)7-10-31(11-8-27)25(36)41-26(3,4)5/h16-20,23,34H,6-15H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)(H,37,38,39)/t17-,19-,20-,23-/m0/s1 | Definition date: | 2021-12-14 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | (1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![F5L F5L](https://data.pdbj.org/pdbjplus/data/cc/svg/F5L.svg) | F5L | Name: | (1R,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: | (1R,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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![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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![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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![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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![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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![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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![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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![4WI 4WI](https://data.pdbj.org/pdbjplus/data/cc/svg/4WI.svg) | 4WI | Name: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C23 H34 F3 N5 O4 | SMILES: | CC1(C)C2C(C(=O)NC(C=N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C | InChi: | InChI=1S/C23H34F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h9,11-16,27H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/b27-9+/t11-,12-,13-,14-,15-,16+/m0/s1 | Synonyms: | PF-07321332, bound form | Definition date: | 2021-07-15 | Last modified: | 2021-12-14 | Release date: | 2021-11-10 | Identifier: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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![ZNC ZNC](https://data.pdbj.org/pdbjplus/data/cc/svg/ZNC.svg) | ZNC | Name: | 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine | Formula: | C21 H23 N3 | SMILES: | C(CCN1CC=C(CC1)c1c[NH]c2ncccc21)c1ccccc1 | InChi: | InChI=1S/C21H23N3/c1-2-6-17(7-3-1)8-5-13-24-14-10-18(11-15-24)20-16-23-21-19(20)9-4-12-22-21/h1-4,6-7,9-10,12,16H,5,8,11,13-15H2,(H,22,23) | Definition date: | 2021-03-31 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine |
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![4IU 4IU](https://data.pdbj.org/pdbjplus/data/cc/svg/4IU.svg) | 4IU | Name: | 2-[[(2R,3R,4R)-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2H-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid | Formula: | C16 H18 N2 O6 | SMILES: | Cn1c(CO[CH]2C=CO[CH](CO)[CH]2O)nc3ccc(cc13)C(O)=O | InChi: | InChI=1S/C16H18N2O6/c1-18-11-6-9(16(21)22)2-3-10(11)17-14(18)8-24-12-4-5-23-13(7-19)15(12)20/h2-6,12-13,15,19-20H,7-8H2,1H3,(H,21,22)/t12-,13-,15-/m1/s1 | Definition date: | 2021-07-02 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | 2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid |
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![5KM 5KM](https://data.pdbj.org/pdbjplus/data/cc/svg/5KM.svg) | 5KM | Name: | 2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid | Formula: | C17 H17 N O6 | SMILES: | OC[CH]1OC=C[CH](OCc2ccc3ccc(cc3n2)C(O)=O)[CH]1O | InChi: | InChI=1S/C17H17NO6/c19-8-15-16(20)14(5-6-23-15)24-9-12-4-3-10-1-2-11(17(21)22)7-13(10)18-12/h1-7,14-16,19-20H,8-9H2,(H,21,22)/t14-,15-,16-/m1/s1 | Definition date: | 2021-07-13 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | 2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid |
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![1IC 1IC](https://data.pdbj.org/pdbjplus/data/cc/svg/1IC.svg) | 1IC | Name: | O-octanoyl-D-serine | Formula: | C11 H21 N O4 | SMILES: | OC(=O)C(N)COC(=O)CCCCCCC | InChi: | InChI=1S/C11H21NO4/c1-2-3-4-5-6-7-10(13)16-8-9(12)11(14)15/h9H,2-8,12H2,1H3,(H,14,15)/t9-/m1/s1 | Definition date: | 2021-06-22 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | O-octanoyl-D-serine |
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![1KD 1KD](https://data.pdbj.org/pdbjplus/data/cc/svg/1KD.svg) | 1KD | Name: | 1-(methanesulfonyl)-1'-(2-methyl-L-alanyl-O-benzyl-D-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine] | Formula: | C27 H36 N4 O5 S | SMILES: | CC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)N1CCC2(CC1)CN(c1ccccc12)S(C)(=O)=O | InChi: | InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1 | Definition date: | 2021-06-22 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | 1-(methanesulfonyl)-1'-(2-methyl-L-alanyl-O-benzyl-D-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine] |
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![J03 J03](https://data.pdbj.org/pdbjplus/data/cc/svg/J03.svg) | J03 | Name: | (2~{R},3~{S},5~{R})-5-(2-azanyl-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol | Formula: | C11 H15 N5 O4 | SMILES: | COc1nc(N)nc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3 | InChi: | InChI=1S/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/t5-,6+,7+/m0/s1 | Definition date: | 2021-03-08 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | (2~{R},3~{S},5~{R})-5-(2-azanyl-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol |
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![B1I B1I](https://data.pdbj.org/pdbjplus/data/cc/svg/B1I.svg) | B1I | Name: | N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine | Formula: | C19 H24 F N5 O | SMILES: | Fc1cccc(c1)N1CCCC(C1)Nc1cc(ncn1)N1CCOCC1 | InChi: | InChI=1S/C19H24FN5O/c20-15-3-1-5-17(11-15)25-6-2-4-16(13-25)23-18-12-19(22-14-21-18)24-7-9-26-10-8-24/h1,3,5,11-12,14,16H,2,4,6-10,13H2,(H,21,22,23)/t16-/m1/s1 | Definition date: | 2021-11-11 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine |
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![H9O H9O](https://data.pdbj.org/pdbjplus/data/cc/svg/H9O.svg) | H9O | Name: | 2-[(3R)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid | Formula: | C10 H9 B O4 | SMILES: | OB1O[CH](C(=C)C(O)=O)c2ccccc12 | InChi: | InChI=1S/C10H9BO4/c1-6(10(12)13)9-7-4-2-3-5-8(7)11(14)15-9/h2-5,9,14H,1H2,(H,12,13)/t9-/m0/s1 | Definition date: | 2020-12-08 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | 2-[(3~{R})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]prop-2-enoic acid |
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