![WZF WZF](https://data.pdbj.org/pdbjplus/data/cc/svg/WZF.svg) | WZF | Name: | 7-(2-phenylethoxy)quinazolin-2-amine | Formula: | C16 H15 N3 O | SMILES: | Nc1ncc2ccc(OCCc3ccccc3)cc2n1 | InChi: | InChI=1S/C16H15N3O/c17-16-18-11-13-6-7-14(10-15(13)19-16)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H2,17,18,19) | Definition date: | 2023-05-24 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | 7-(2-phenylethoxy)quinazolin-2-amine |
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![YG8 YG8](https://data.pdbj.org/pdbjplus/data/cc/svg/YG8.svg) | YG8 | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-imidazol-1-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Formula: | C18 H25 N7 O13 P2 | SMILES: | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cncc3)C(O)C2O)C(O)C1O | InChi: | InChI=1S/C18H25N7O13P2/c19-15-10-16(22-5-21-15)25(7-23-10)18-14(29)12(27)9(37-18)4-35-40(32,33)38-39(30,31)34-3-8-11(26)13(28)17(36-8)24-2-1-20-6-24/h1-2,5-9,11-14,17-18,26-29H,3-4H2,(H,30,31)(H,32,33)(H2,19,21,22)/t8-,9-,11-,12-,13-,14-,17-,18-/m1/s1 | Definition date: | 2023-12-04 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-(1H-imidazol-1-yl)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![XHT XHT](https://data.pdbj.org/pdbjplus/data/cc/svg/XHT.svg) | XHT | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS,13R)-1-hydroxy-10,11-dimethyl-3-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name) | Formula: | C40 H46 N12 O17 P2 S | SMILES: | Cc1nnc(NC(=O)c2cccc(c2)C2CC(O)N3c4cc(C)c(C)cc4N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(O)C4O)C4=NC(=O)NC(=O)C432)s1 | InChi: | InChI=1S/C40H46N12O17P2S/c1-16-7-22-23(8-17(16)2)52-27(55)10-21(19-5-4-6-20(9-19)34(59)45-39-49-48-18(3)72-39)40(52)36(46-38(61)47-37(40)60)50(22)11-24(53)29(56)25(54)12-66-70(62,63)69-71(64,65)67-13-26-30(57)31(58)35(68-26)51-15-44-28-32(41)42-14-43-33(28)51/h4-9,14-15,21,24-27,29-31,35,53-58H,10-13H2,1-3H3,(H,62,63)(H,64,65)(H2,41,42,43)(H,45,49,59)(H,47,60,61)/t21-,24+,25+,26-,27-,29-,30-,31-,35-,40+/m1/s1 | Definition date: | 2022-11-21 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS,13R)-1-hydroxy-10,11-dimethyl-3-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name) |
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![XHX XHX](https://data.pdbj.org/pdbjplus/data/cc/svg/XHX.svg) | XHX | Name: | 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide | Formula: | C17 H20 N4 O S | SMILES: | Cc1nnc(NC(=O)c2cccc(c2)C2CC2NC2CCC2)s1 | InChi: | InChI=1S/C17H20N4OS/c1-10-20-21-17(23-10)19-16(22)12-5-2-4-11(8-12)14-9-15(14)18-13-6-3-7-13/h2,4-5,8,13-15,18H,3,6-7,9H2,1H3,(H,19,21,22)/t14-,15+/m1/s1 | Definition date: | 2022-11-21 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide |
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![X2R X2R](https://data.pdbj.org/pdbjplus/data/cc/svg/X2R.svg) | X2R | Name: | (2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{R})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid | Formula: | C13 H25 N3 O7 S2 | SMILES: | CC(C)[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)[S](O)(=O)=O | InChi: | InChI=1S/C13H25N3O7S2/c1-7(2)12(25(21,22)23)16-11(18)9(6-24)15-10(17)5-3-4-8(14)13(19)20/h7-9,12,24H,3-6,14H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)(H,21,22,23)/t8-,9-,12+/m0/s1 | Definition date: | 2023-05-31 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{R})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid |
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![W4E W4E](https://data.pdbj.org/pdbjplus/data/cc/svg/W4E.svg) | W4E | Name: | (1S)-6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline | Formula: | C30 H29 N O3 | SMILES: | COc1cc2CCN(C)[CH](Cc3ccc(Oc4ccccc4)cc3)c2cc1Oc5ccccc5 | InChi: | InChI=1S/C30H29NO3/c1-31-18-17-23-20-29(32-2)30(34-25-11-7-4-8-12-25)21-27(23)28(31)19-22-13-15-26(16-14-22)33-24-9-5-3-6-10-24/h3-16,20-21,28H,17-19H2,1-2H3/t28-/m0/s1 | Synonyms: | SG-094 | Definition date: | 2023-04-26 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (1~{S})-6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1~{H}-isoquinoline |
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![JA6 JA6](https://data.pdbj.org/pdbjplus/data/cc/svg/JA6.svg) | JA6 | Name: | (2R)-N-cyclopentyl-2-[cyclopropyl(ethanoyl)amino]-2-(4-fluorophenyl)ethanamide | Formula: | C18 H23 F N2 O2 | SMILES: | CC(=O)N(C1CC1)[CH](C(=O)NC2CCCC2)c3ccc(F)cc3 | InChi: | InChI=1S/C18H23FN2O2/c1-12(22)21(16-10-11-16)17(13-6-8-14(19)9-7-13)18(23)20-15-4-2-3-5-15/h6-9,15-17H,2-5,10-11H2,1H3,(H,20,23)/t17-/m1/s1 | Definition date: | 2021-05-07 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (2~{R})-~{N}-cyclopentyl-2-[cyclopropyl(ethanoyl)amino]-2-(4-fluorophenyl)ethanamide |
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![UC6 UC6](https://data.pdbj.org/pdbjplus/data/cc/svg/UC6.svg) | UC6 | Name: | 1,5-anhydro-D-ribo-hex-3-ulose | Formula: | C6 H10 O5 | SMILES: | OC1C(CO)OCC(O)C1=O | InChi: | InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-4,6-8,10H,1-2H2 | Definition date: | 2023-09-01 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | 1,5-anhydro-D-ribo-hex-3-ulose |
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![A1ALA A1ALA](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ALA.svg) | A1ALA | Name: | 1H-indol-6-amine | Formula: | C8 H8 N2 | SMILES: | Nc1ccc2cc[NH]c2c1 | InChi: | InChI=1S/C8H8N2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,9H2 | Definition date: | 2024-04-08 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | 1H-indol-6-amine |
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![A1ALB A1ALB](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ALB.svg) | A1ALB | Name: | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline | Formula: | C12 H9 N3 O | SMILES: | Nc1cccc(c1)c1nc2ncccc2o1 | InChi: | InChI=1S/C12H9N3O/c13-9-4-1-3-8(7-9)12-15-11-10(16-12)5-2-6-14-11/h1-7H,13H2 | Definition date: | 2024-04-08 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline |
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![A1AOH A1AOH](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AOH.svg) | A1AOH | Name: | (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name) | Formula: | C42 H55 N7 O6 S | SMILES: | CC(=O)N(C)C(C(C)C)C(=O)NC1Cc2nc(cs2)c2ccc3n(CC)c(c4cccnc4C(C)OC)c(CC(C)(C)COC(=O)C4CCCN(N4)C1=O)c3c2 | InChi: | InChI=1S/C42H55N7O6S/c1-10-48-34-16-15-27-19-29(34)30(38(48)28-13-11-17-43-36(28)25(4)54-9)21-42(6,7)23-55-41(53)31-14-12-18-49(46-31)40(52)32(20-35-44-33(27)22-56-35)45-39(51)37(24(2)3)47(8)26(5)50/h11,13,15-17,19,22,24-25,31-32,37,46H,10,12,14,18,20-21,23H2,1-9H3,(H,45,51)/t25-,31+,32-,37?/m0/s1 | Definition date: | 2024-04-19 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name) |
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![A1D46 A1D46](https://data.pdbj.org/pdbjplus/data/cc/svg/A1D46.svg) | A1D46 | Name: | 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one | Formula: | C21 H20 N4 O2 | SMILES: | O=C1Nc2cccc(OC3CCNCC3)c2C1=Cc4ccc5[nH]cnc5c4 | InChi: | InChI=1S/C21H20N4O2/c26-21-15(10-13-4-5-16-18(11-13)24-12-23-16)20-17(25-21)2-1-3-19(20)27-14-6-8-22-9-7-14/h1-5,10-12,14,22H,6-9H2,(H,23,24)(H,25,26) | Synonyms: | (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one | Definition date: | 2023-12-21 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one |
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![A1D47 A1D47](https://data.pdbj.org/pdbjplus/data/cc/svg/A1D47.svg) | A1D47 | Name: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one | Formula: | C21 H19 N3 O3 | SMILES: | O=C1Nc2cccc(OC3CCOCC3)c2C1=Cc4ccc5[nH]cnc5c4 | InChi: | InChI=1S/C21H19N3O3/c25-21-15(10-13-4-5-16-18(11-13)23-12-22-16)20-17(24-21)2-1-3-19(20)27-14-6-8-26-9-7-14/h1-5,10-12,14H,6-9H2,(H,22,23)(H,24,25)/b15-10- | Synonyms: | (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)indolin-2-one | Definition date: | 2023-12-21 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one |
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![A1D48 A1D48](https://data.pdbj.org/pdbjplus/data/cc/svg/A1D48.svg) | A1D48 | Name: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one | Formula: | C16 H11 N3 O2 | SMILES: | Oc1cccc2NC(=O)C(=Cc3ccc4[nH]cnc4c3)c12 | InChi: | InChI=1S/C16H11N3O2/c20-14-3-1-2-12-15(14)10(16(21)19-12)6-9-4-5-11-13(7-9)18-8-17-11/h1-8,20H,(H,17,18)(H,19,21)/b10-6- | Synonyms: | (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one | Definition date: | 2023-12-21 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one |
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![A1D49 A1D49](https://data.pdbj.org/pdbjplus/data/cc/svg/A1D49.svg) | A1D49 | Name: | (5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one | Formula: | C19 H20 N4 O2 | SMILES: | CCCOc1ccc(cc1)[CH]2CNC(=O)N2c3ccc4nc[nH]c4c3 | InChi: | InChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1 | Synonyms: | PQ912 | Definition date: | 2023-12-22 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one |
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![A1D5P A1D5P](https://data.pdbj.org/pdbjplus/data/cc/svg/A1D5P.svg) | A1D5P | Name: | (2~{R},3~{S})-2-azanyl-3-(4-hydroxyphenyl)-3-oxidanyl-propanoic acid | Formula: | C9 H11 N O4 | SMILES: | N[CH]([CH](O)c1ccc(O)cc1)C(O)=O | InChi: | InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m1/s1 | Synonyms: | (betaS)-beta-hydroxy-D-tyrosine | Definition date: | 2024-01-26 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (2~{R},3~{S})-2-azanyl-3-(4-hydroxyphenyl)-3-oxidanyl-propanoic acid |
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![A1D6Q A1D6Q](https://data.pdbj.org/pdbjplus/data/cc/svg/A1D6Q.svg) | A1D6Q | Name: | 8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one | Formula: | C30 H18 O10 | SMILES: | Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)c(c3O2)c4cc(ccc4O)C5=CC(=O)c6c(O)cc(O)cc6O5 | InChi: | InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H | Synonyms: | Amentoflavone | Definition date: | 2024-03-08 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | 8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one |
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![A1H2A A1H2A](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H2A.svg) | A1H2A | Name: | (2~{S})-2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-2-yl]-2-oxidanyl-butanoic acid | Formula: | C16 H25 N4 O10 P2 S | SMILES: | CC[C](O)(C(O)=O)c1sc(CCO[P](O)(=O)O[P](O)(O)=O)c(C)[n+]1Cc2cnc(C)nc2N | InChi: | InChI=1S/C16H24N4O10P2S/c1-4-16(23,15(21)22)14-20(8-11-7-18-10(3)19-13(11)17)9(2)12(33-14)5-6-29-32(27,28)30-31(24,25)26/h7,23H,4-6,8H2,1-3H3,(H5-,17,18,19,21,22,24,25,26,27,28)/p+1/t16-/m1/s1 | Synonyms: | Ketobutyryl-thiamine diphosphate | Definition date: | 2024-01-16 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (2~{S})-2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-2-oxidanyl-butanoic acid |
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![A1H68 A1H68](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H68.svg) | A1H68 | Name: | (1-methylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | Formula: | C28 H39 N3 O6 | SMILES: | COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4cnn(C)c4 | InChi: | InChI=1S/C28H39N3O6/c1-30-17-19(16-29-30)18-37-28(33)22-12-8-9-13-31(22)27(32)25(20-10-6-5-7-11-20)21-14-23(34-2)26(36-4)24(15-21)35-3/h14-17,20,22,25H,5-13,18H2,1-4H3/t22-,25-/m0/s1 | Definition date: | 2024-03-28 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (1-methylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate |
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![A1H7A A1H7A](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H7A.svg) | A1H7A | Name: | (2-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | Formula: | C28 H38 N2 O6 S | SMILES: | COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4sc(C)nc4 | InChi: | InChI=1S/C28H38N2O6S/c1-18-29-16-21(37-18)17-36-28(32)22-12-8-9-13-30(22)27(31)25(19-10-6-5-7-11-19)20-14-23(33-2)26(35-4)24(15-20)34-3/h14-16,19,22,25H,5-13,17H2,1-4H3/t22-,25-/m0/s1 | Definition date: | 2024-03-28 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (2-methyl-1,3-thiazol-5-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate |
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![A1H7B A1H7B](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H7B.svg) | A1H7B | Name: | (4-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | Formula: | C28 H38 N2 O6 S | SMILES: | COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4scnc4C | InChi: | InChI=1S/C28H38N2O6S/c1-18-24(37-17-29-18)16-36-28(32)21-12-8-9-13-30(21)27(31)25(19-10-6-5-7-11-19)20-14-22(33-2)26(35-4)23(15-20)34-3/h14-15,17,19,21,25H,5-13,16H2,1-4H3/t21-,25-/m0/s1 | Definition date: | 2024-03-28 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (4-methyl-1,3-thiazol-5-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate |
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![A1H7E A1H7E](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H7E.svg) | A1H7E | Name: | [1-(2-hydroxyethyl)pyrazol-4-yl]methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | Formula: | C29 H41 N3 O7 | SMILES: | COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4cnn(CCO)c4 | InChi: | InChI=1S/C29H41N3O7/c1-36-24-15-22(16-25(37-2)27(24)38-3)26(21-9-5-4-6-10-21)28(34)32-12-8-7-11-23(32)29(35)39-19-20-17-30-31(18-20)13-14-33/h15-18,21,23,26,33H,4-14,19H2,1-3H3/t23-,26-/m0/s1 | Definition date: | 2024-03-28 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | [1-(2-hydroxyethyl)pyrazol-4-yl]methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate |
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![A1H7F A1H7F](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H7F.svg) | A1H7F | Name: | (1-ethylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | Formula: | C29 H41 N3 O6 | SMILES: | CCn1cc(COC(=O)[CH]2CCCCN2C(=O)[CH](C3CCCCC3)c4cc(OC)c(OC)c(OC)c4)cn1 | InChi: | InChI=1S/C29H41N3O6/c1-5-31-18-20(17-30-31)19-38-29(34)23-13-9-10-14-32(23)28(33)26(21-11-7-6-8-12-21)22-15-24(35-2)27(37-4)25(16-22)36-3/h15-18,21,23,26H,5-14,19H2,1-4H3/t23-,26-/m0/s1 | Definition date: | 2024-03-28 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (1-ethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate |
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![A1H7G A1H7G](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H7G.svg) | A1H7G | Name: | (1-propan-2-ylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | Formula: | C30 H43 N3 O6 | SMILES: | COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4cnn(c4)C(C)C | InChi: | InChI=1S/C30H43N3O6/c1-20(2)33-18-21(17-31-33)19-39-30(35)24-13-9-10-14-32(24)29(34)27(22-11-7-6-8-12-22)23-15-25(36-3)28(38-5)26(16-23)37-4/h15-18,20,22,24,27H,6-14,19H2,1-5H3/t24-,27-/m0/s1 | Definition date: | 2024-03-28 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (1-propan-2-ylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate |
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![A1H7U A1H7U](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H7U.svg) | A1H7U | Name: | (1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | Formula: | C29 H41 N3 O6 | SMILES: | COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4cnn(C)c4C | InChi: | InChI=1S/C29H41N3O6/c1-19-22(17-30-31(19)2)18-38-29(34)23-13-9-10-14-32(23)28(33)26(20-11-7-6-8-12-20)21-15-24(35-3)27(37-5)25(16-21)36-4/h15-17,20,23,26H,6-14,18H2,1-5H3/t23-,26-/m0/s1 | Definition date: | 2024-04-05 | Last modified: | 2024-06-07 | Release date: | 2024-06-12 | Identifier: | (1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate |
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