![QBJ QBJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QBJ.svg) | QBJ | Name: | 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid | Formula: | C29 H26 O9 S2 | SMILES: | OC(CCC(=O)c1sc2c(c1)cc(c(c2)OC)OC[C@H]=[C@H]c4cc3cc(C(CCC(=O)O)=O)sc3cc4OC)=O | InChi: | InChI=1S/C29H26O9S2/c1-36-21-14-24-17(12-26(39-24)19(30)5-7-28(32)33)10-16(21)4-3-9-38-23-11-18-13-27(20(31)6-8-29(34)35)40-25(18)15-22(23)37-2/h3-4,10-15H,5-9H2,1-2H3,(H,32,33)(H,34,35)/b4-3- | Definition date: | 2019-10-10 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid |
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![VBG VBG](https://data.pdbj.org/pdbjplus/data/cc/svg/VBG.svg) | VBG | Name: | 2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile | Formula: | C34 H30 F8 N4 O5 S | SMILES: | O=C(N5CCN(C(N4CCC(c2ccc(C(OCc1c(F)cccc1C#N)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c3ccc(cc3)F)C4)=O)CC5)C | InChi: | InChI=1S/C34H30F8N4O5S/c1-22(47)44-15-17-45(18-16-44)30(48)46-14-13-31(21-46,52(49,50)27-11-9-26(35)10-12-27)24-5-7-25(8-6-24)32(33(37,38)39,34(40,41)42)51-20-28-23(19-43)3-2-4-29(28)36/h2-12H,13-18,20-21H2,1H3/t31-/m0/s1 | Definition date: | 2020-07-22 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | 2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile |
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![VDJ VDJ](https://data.pdbj.org/pdbjplus/data/cc/svg/VDJ.svg) | VDJ | Name: | [4,4-bis(fluoranyl)cyclohexyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | Formula: | C21 H35 F2 N3 O8 S | SMILES: | C(C(NC(CC1C(=O)NCC1)C(S(O)(=O)=O)O)=O)(CC(C)C)NC(=O)OCC2CCC(CC2)(F)F | InChi: | InChI=1S/C21H35F2N3O8S/c1-12(2)9-15(26-20(30)34-11-13-3-6-21(22,23)7-4-13)18(28)25-16(19(29)35(31,32)33)10-14-5-8-24-17(14)27/h12-16,19,29H,3-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t14-,15-,16-,19+/m0/s1 | Definition date: | 2020-07-30 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | (1R,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![V27 V27](https://data.pdbj.org/pdbjplus/data/cc/svg/V27.svg) | V27 | Name: | 1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one | Formula: | C28 H30 F6 N2 O3 | SMILES: | OC(C(F)(F)F)(c1ccc(cc1)C2C(CN(C2)C(C3CCN(C(=O)C)CC3)=O)(c4ccccc4)C)C(F)(F)F | InChi: | InChI=1S/C28H30F6N2O3/c1-18(37)35-14-12-20(13-15-35)24(38)36-16-23(25(2,17-36)21-6-4-3-5-7-21)19-8-10-22(11-9-19)26(39,27(29,30)31)28(32,33)34/h3-11,20,23,39H,12-17H2,1-2H3/t23-,25+/m0/s1 | Definition date: | 2020-06-17 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | 1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one |
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![V3S V3S](https://data.pdbj.org/pdbjplus/data/cc/svg/V3S.svg) | V3S | Name: | (2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide | Formula: | C16 H21 N5 O2 | SMILES: | c3n(c(c2cccc(NC(=O)C1CCCCO1)n2)nn3)C(C)C | InChi: | InChI=1S/C16H21N5O2/c1-11(2)21-10-17-20-15(21)12-6-5-8-14(18-12)19-16(22)13-7-3-4-9-23-13/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3,(H,18,19,22)/t13-/m1/s1 | Definition date: | 2020-06-22 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | (2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide |
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![OQ2 OQ2](https://data.pdbj.org/pdbjplus/data/cc/svg/OQ2.svg) | OQ2 | Name: | ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide | Formula: | C33 H40 F3 N7 O3 | SMILES: | CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)cc2C(F)(F)F | InChi: | InChI=1S/C33H40F3N7O3/c1-4-30(44)43-13-11-26(21-43)39-32-37-12-10-29(40-32)46-28-18-23(7-6-22(28)3)31(45)38-25-9-8-24(27(19-25)33(34,35)36)20-42-16-14-41(5-2)15-17-42/h6-10,12,18-19,26H,4-5,11,13-17,20-21H2,1-3H3,(H,38,45)(H,37,39,40)/t26-/m1/s1 | Definition date: | 2020-03-27 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide |
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![OQ8 OQ8](https://data.pdbj.org/pdbjplus/data/cc/svg/OQ8.svg) | OQ8 | Name: | ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide | Formula: | C33 H40 F3 N7 O3 | SMILES: | CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)cc2C(F)(F)F | InChi: | InChI=1S/C33H40F3N7O3/c1-4-30(44)43-13-11-26(21-43)39-32-37-12-10-29(40-32)46-28-18-23(7-6-22(28)3)31(45)38-25-9-8-24(27(19-25)33(34,35)36)20-42-16-14-41(5-2)15-17-42/h6-10,12,18-19,26H,4-5,11,13-17,20-21H2,1-3H3,(H,38,45)(H,37,39,40)/t26-/m0/s1 | Definition date: | 2020-03-27 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide |
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![QSM QSM](https://data.pdbj.org/pdbjplus/data/cc/svg/QSM.svg) | QSM | Name: | 2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole | Formula: | C24 H30 N2 O2 | SMILES: | N4CCC(c3cc2c(nc(c1cc(c(OC)cc1)OC)c2C(C)C)cc3)CC4 | InChi: | InChI=1S/C24H30N2O2/c1-15(2)23-19-13-17(16-9-11-25-12-10-16)5-7-20(19)26-24(23)18-6-8-21(27-3)22(14-18)28-4/h5-8,13-16,25-26H,9-12H2,1-4H3 | Definition date: | 2019-12-17 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | 2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole |
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![QZ4 QZ4](https://data.pdbj.org/pdbjplus/data/cc/svg/QZ4.svg) | QZ4 | Name: | 4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate | Formula: | C23 H37 F2 N3 O5 | SMILES: | C(CC1CCCCC1)(C(NC(CC2C(=O)NCC2)CO)=O)NC(=O)OC3CCC(CC3)(F)F | InChi: | InChI=1S/C23H37F2N3O5/c24-23(25)9-6-18(7-10-23)33-22(32)28-19(12-15-4-2-1-3-5-15)21(31)27-17(14-29)13-16-8-11-26-20(16)30/h15-19,29H,1-14H2,(H,26,30)(H,27,31)(H,28,32)/t16-,17-,19-/m0/s1 | Definition date: | 2020-01-15 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | 4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate |
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![QZ7 QZ7](https://data.pdbj.org/pdbjplus/data/cc/svg/QZ7.svg) | QZ7 | Name: | N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Formula: | C20 H33 F2 N3 O5 | SMILES: | C1(F)(CCC(CC1)OC(=O)NC(CC(C)C)C(NC(CC2C(=O)NCC2)CO)=O)F | InChi: | InChI=1S/C20H33F2N3O5/c1-12(2)9-16(25-19(29)30-15-3-6-20(21,22)7-4-15)18(28)24-14(11-26)10-13-5-8-23-17(13)27/h12-16,26H,3-11H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t13-,14-,16-/m0/s1 | Definition date: | 2020-01-15 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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![QZD QZD](https://data.pdbj.org/pdbjplus/data/cc/svg/QZD.svg) | QZD | Name: | N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Formula: | C20 H35 N3 O7 | SMILES: | C(C(NC(C(CC(C)C)NC(OC1(COCOC1)CC)=O)=O)CO)C2C(=O)NCC2 | InChi: | InChI=1S/C20H35N3O7/c1-4-20(10-28-12-29-11-20)30-19(27)23-16(7-13(2)3)18(26)22-15(9-24)8-14-5-6-21-17(14)25/h13-16,24H,4-12H2,1-3H3,(H,21,25)(H,22,26)(H,23,27)/t14-,15-,16-/m0/s1 | Definition date: | 2020-01-17 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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![QZG QZG](https://data.pdbj.org/pdbjplus/data/cc/svg/QZG.svg) | QZG | Name: | N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide | Formula: | C23 H41 N3 O5 | SMILES: | C(=O)(NC(CC(C)C)C(NC(CC1C(=O)NCC1)CO)=O)OC2CCC(CC2)C(C)C | InChi: | InChI=1S/C23H41N3O5/c1-14(2)11-20(22(29)25-18(13-27)12-17-9-10-24-21(17)28)26-23(30)31-19-7-5-16(6-8-19)15(3)4/h14-20,27H,5-13H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t16-,17-,18-,19-,20-/m0/s1 | Definition date: | 2020-01-17 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide |
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![QZJ QZJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QZJ.svg) | QZJ | Name: | N~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Formula: | C22 H39 N3 O5 | SMILES: | C(CC1C(=O)NCC1)(NC(C(CC(C)C)NC(=O)OC2CCC(CC2)CC)=O)CO | InChi: | InChI=1S/C22H39N3O5/c1-4-15-5-7-18(8-6-15)30-22(29)25-19(11-14(2)3)21(28)24-17(13-26)12-16-9-10-23-20(16)27/h14-19,26H,4-13H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/t15-,16-,17-,18-,19-/m0/s1 | Definition date: | 2020-01-17 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | N~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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![8QX 8QX](https://data.pdbj.org/pdbjplus/data/cc/svg/8QX.svg) | 8QX | Name: | 6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{S})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one | Formula: | C23 H26 Br F N4 O2 | SMILES: | CC(C)N1CCC[CH](C1)CN2C(=Nc3ccc(Oc4ccc(Br)cc4F)nc3C2=O)C | InChi: | InChI=1S/C23H26BrFN4O2/c1-14(2)28-10-4-5-16(12-28)13-29-15(3)26-19-7-9-21(27-22(19)23(29)30)31-20-8-6-17(24)11-18(20)25/h6-9,11,14,16H,4-5,10,12-13H2,1-3H3/t16-/m0/s1 | Definition date: | 2017-08-28 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | 6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{S})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one |
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![P7S P7S](https://data.pdbj.org/pdbjplus/data/cc/svg/P7S.svg) | P7S | Name: | N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide | Formula: | C22 H29 Cl N4 O6 | SMILES: | C2CN(C(C(C(C)(C)C)NC(c1ccc(c(c1)Cl)N)=O)=O)C(C(NC(CC(=O)O)C=O)=O)C2 | InChi: | InChI=1S/C22H29ClN4O6/c1-22(2,3)18(26-19(31)12-6-7-15(24)14(23)9-12)21(33)27-8-4-5-16(27)20(32)25-13(11-28)10-17(29)30/h6-7,9,11,13,16,18H,4-5,8,10,24H2,1-3H3,(H,25,32)(H,26,31)(H,29,30)/t13-,16-,18+/m0/s1 | Definition date: | 2019-08-06 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide |
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![R74 R74](https://data.pdbj.org/pdbjplus/data/cc/svg/R74.svg) | R74 | Name: | N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide | Formula: | C18 H19 N3 O4 S | SMILES: | O=C(C(CS)NC(Cc2ccc1OCOc1c2)=O)NCc3ccncc3 | InChi: | InChI=1S/C18H19N3O4S/c22-17(8-13-1-2-15-16(7-13)25-11-24-15)21-14(10-26)18(23)20-9-12-3-5-19-6-4-12/h1-7,14,26H,8-11H2,(H,20,23)(H,21,22)/t14-/m0/s1 | Definition date: | 2020-02-04 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide |
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![R7D R7D](https://data.pdbj.org/pdbjplus/data/cc/svg/R7D.svg) | R7D | Name: | N~2~-{(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-N-[(pyridin-2-yl)methyl]-L-cysteinamide | Formula: | C18 H18 F3 N3 O3 S | SMILES: | SCC(C(NCc1ncccc1)=O)NC(C(c2ccc(cc2)C(F)(F)F)O)=O | InChi: | InChI=1S/C18H18F3N3O3S/c19-18(20,21)12-6-4-11(5-7-12)15(25)17(27)24-14(10-28)16(26)23-9-13-3-1-2-8-22-13/h1-8,14-15,25,28H,9-10H2,(H,23,26)(H,24,27)/t14-,15+/m0/s1 | Definition date: | 2020-02-04 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | N~2~-{(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-N-[(pyridin-2-yl)methyl]-L-cysteinamide |
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![LWZ LWZ](https://data.pdbj.org/pdbjplus/data/cc/svg/LWZ.svg) | LWZ | Name: | 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide | Formula: | C6 H10 N4 O S2 | SMILES: | SC(S)CC(=O)NCc1c[nH]nn1 | InChi: | InChI=1S/C6H10N4OS2/c11-5(1-6(12)13)7-2-4-3-8-10-9-4/h3,6,12-13H,1-2H2,(H,7,11)(H,8,9,10) | Definition date: | 2019-09-25 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide |
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![QBE QBE](https://data.pdbj.org/pdbjplus/data/cc/svg/QBE.svg) | QBE | Name: | ~{N}-[5-[[3-cyano-7-(cyclopropylamino)-3~{H}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide | Formula: | C20 H21 N7 O | SMILES: | CCC(=O)Nc1cc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2)ccc1C | InChi: | InChI=1S/C20H21N7O/c1-3-19(28)25-16-8-15(5-4-12(16)2)23-17-9-18(24-14-6-7-14)27-20(26-17)13(10-21)11-22-27/h4-5,8-9,11,14,24H,3,6-7H2,1-2H3,(H,23,26)(H,25,28) | Definition date: | 2020-06-02 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide |
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![SOJ SOJ](https://data.pdbj.org/pdbjplus/data/cc/svg/SOJ.svg) | SOJ | Name: | ~{N}4-phenylbenzene-1,4-diamine | Formula: | C12 H12 N2 | SMILES: | Nc1ccc(Nc2ccccc2)cc1 | InChi: | InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2 | Definition date: | 2020-03-11 | Last modified: | 2020-07-17 | Release date: | 2020-07-22 | Identifier: | ~{N}4-phenylbenzene-1,4-diamine |
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![XDX XDX](https://data.pdbj.org/pdbjplus/data/cc/svg/XDX.svg) | XDX | Name: | (2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid | Formula: | C9 H17 O12 P | SMILES: | OP(O)(=O)OCC(C(O)=O)OC1C(C(C(C(O1)CO)O)O)O | InChi: | InChI=1S/C9H17O12P/c10-1-3-5(11)6(12)7(13)9(20-3)21-4(8(14)15)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4-,5-,6+,7-,9-/m1/s1 | Synonyms: | (2R)-2-(alpha-D-glucosyloxy)-3-(phosphonooxy)propanoic acid | Definition date: | 2016-05-10 | Last modified: | 2020-07-17 | Release date: | 2017-05-24 | Identifier: | (2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid |
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![PH5 PH5](https://data.pdbj.org/pdbjplus/data/cc/svg/PH5.svg) | PH5 | Name: | benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid | Formula: | C19 H27 N O9 | SMILES: | O=C(O)C2(OCc1ccccc1)OC(C(O)C(O)CO)C(NC(=O)CC)C(O)C2 | InChi: | InChI=1S/C19H27NO9/c1-2-14(24)20-15-12(22)8-19(18(26)27,28-10-11-6-4-3-5-7-11)29-17(15)16(25)13(23)9-21/h3-7,12-13,15-17,21-23,25H,2,8-10H2,1H3,(H,20,24)(H,26,27)/t12-,13+,15+,16+,17+,19+/m0/s1 | Synonyms: | 2-PHENYL-PROP5AC | Definition date: | 2005-06-27 | Last modified: | 2020-07-17 | Identifier: | benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid |
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![K4W K4W](https://data.pdbj.org/pdbjplus/data/cc/svg/K4W.svg) | K4W | Name: | 4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol | Formula: | C18 H26 N6 O3 | SMILES: | CC[CH](CO)Nc1nc(NCc2ccc(O)cc2)c(N=O)c(NC(C)C)n1 | InChi: | InChI=1S/C18H26N6O3/c1-4-13(10-25)21-18-22-16(15(24-27)17(23-18)20-11(2)3)19-9-12-5-7-14(26)8-6-12/h5-8,11,13,25-26H,4,9-10H2,1-3H3,(H3,19,20,21,22,23)/t13-/m1/s1 | Definition date: | 2019-04-24 | Last modified: | 2020-07-17 | Release date: | 2020-07-22 | Identifier: | 4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol |
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![K5B K5B](https://data.pdbj.org/pdbjplus/data/cc/svg/K5B.svg) | K5B | Name: | 4,7-anhydro-3-deoxy-D-gluco-oct-2-ulosonic acid | Formula: | C8 H12 O7 | SMILES: | OC[CH]1O[CH](CC(=O)C(O)=O)[CH](O)[CH]1O | InChi: | InChI=1S/C8H12O7/c9-2-5-7(12)6(11)4(15-5)1-3(10)8(13)14/h4-7,9,11-12H,1-2H2,(H,13,14)/t4-,5+,6+,7+/m0/s1 | Synonyms: | 4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid | Definition date: | 2017-09-07 | Last modified: | 2020-07-17 | Release date: | 2018-06-20 | Identifier: | 3-[(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-propanoic acid |
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![SQV SQV](https://data.pdbj.org/pdbjplus/data/cc/svg/SQV.svg) | SQV | Name: | methyl (2~{S})-2-(4-methoxypyridin-2-yl)propanoate | Formula: | C10 H13 N O3 | SMILES: | COC(=O)[CH](C)c1cc(OC)ccn1 | InChi: | InChI=1S/C10H13NO3/c1-7(10(12)14-3)9-6-8(13-2)4-5-11-9/h4-7H,1-3H3/t7-/m0/s1 | Definition date: | 2020-03-11 | Last modified: | 2020-07-17 | Release date: | 2020-07-22 | Identifier: | methyl (2~{S})-2-(4-methoxypyridin-2-yl)propanoate |
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