![2UZ 2UZ](https://data.pdbj.org/pdbjplus/data/cc/svg/2UZ.svg) | 2UZ | Name: | (2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | Formula: | C7 H10 N2 O4 S | SMILES: | O=C(O)C(N)C1SCC=C(C(=O)O)N1 | InChi: | InChI=1S/C7H10N2O4S/c8-4(7(12)13)5-9-3(6(10)11)1-2-14-5/h1,4-5,9H,2,8H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1 | Synonyms: | (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, hydrolyzed form | Definition date: | 2014-02-17 | Last modified: | 2021-03-13 | Release date: | 2014-05-28 | Identifier: | (2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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![2V7 2V7](https://data.pdbj.org/pdbjplus/data/cc/svg/2V7.svg) | 2V7 | Name: | (1S,2S)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol | Formula: | C14 H16 O3 | SMILES: | OC(C)C(O)c1ccc2c(c1)ccc(OC)c2 | InChi: | InChI=1S/C14H16O3/c1-9(15)14(16)12-4-3-11-8-13(17-2)6-5-10(11)7-12/h3-9,14-16H,1-2H3/t9-,14+/m0/s1 | Synonyms: | (6-methoxynaphthalen-2-yl)(oxiran-2-yl)methanol, bound form | Definition date: | 2014-02-20 | Last modified: | 2021-03-13 | Release date: | 2014-03-05 | Identifier: | (1S,2S)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol |
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![2XJ 2XJ](https://data.pdbj.org/pdbjplus/data/cc/svg/2XJ.svg) | 2XJ | Name: | 1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol | Formula: | C22 H29 N5 O3 S2 | SMILES: | n1c(c(sc1c2cc(OCC(O)(C)C)c(OC)cc2)CCC)CSc3nc(nc(N)c3)N | InChi: | InChI=1S/C22H29N5O3S2/c1-5-6-17-14(11-31-19-10-18(23)26-21(24)27-19)25-20(32-17)13-7-8-15(29-4)16(9-13)30-12-22(2,3)28/h7-10,28H,5-6,11-12H2,1-4H3,(H4,23,24,26,27) | Synonyms: | 1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol | Definition date: | 2014-04-08 | Last modified: | 2021-03-13 | Release date: | 2014-11-05 | Identifier: | 1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol |
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![2XL 2XL](https://data.pdbj.org/pdbjplus/data/cc/svg/2XL.svg) | 2XL | Name: | 5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol | Formula: | C18 H21 N5 O2 S2 | SMILES: | n1c(c(sc1c2cc(O)c(OC)cc2)CCC)CSc3nc(N)cc(n3)N | InChi: | InChI=1S/C18H21N5O2S2/c1-3-4-14-11(9-26-18-22-15(19)8-16(20)23-18)21-17(27-14)10-5-6-13(25-2)12(24)7-10/h5-8,24H,3-4,9H2,1-2H3,(H4,19,20,22,23) | Synonyms: | 5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenol | Definition date: | 2014-04-08 | Last modified: | 2021-03-13 | Release date: | 2014-11-05 | Identifier: | 5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenol |
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![2XZ 2XZ](https://data.pdbj.org/pdbjplus/data/cc/svg/2XZ.svg) | 2XZ | Name: | 2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol | Formula: | C20 H25 N5 O3 S2 | SMILES: | n1c(c(sc1c2cc(OCCO)c(OC)cc2)CCC)CSc3nc(N)cc(n3)N | InChi: | InChI=1S/C20H25N5O3S2/c1-3-4-16-13(11-29-20-24-17(21)10-18(22)25-20)23-19(30-16)12-5-6-14(27-2)15(9-12)28-8-7-26/h5-6,9-10,26H,3-4,7-8,11H2,1-2H3,(H4,21,22,24,25) | Synonyms: | 2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethanol | Definition date: | 2014-04-09 | Last modified: | 2021-03-13 | Release date: | 2015-02-18 | Identifier: | 2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethanol |
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![2Y1 2Y1](https://data.pdbj.org/pdbjplus/data/cc/svg/2Y1.svg) | 2Y1 | Name: | (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine | Formula: | C21 H26 F N5 O2 S2 | SMILES: | FCCOc1c(OC)ccc(c1)c2nc(c(s2)CCC)C(Sc3nc(N)cc(n3)N)C | InChi: | InChI=1S/C21H26FN5O2S2/c1-4-5-16-19(12(2)30-21-25-17(23)11-18(24)26-21)27-20(31-16)13-6-7-14(28-3)15(10-13)29-9-8-22/h6-7,10-12H,4-5,8-9H2,1-3H3,(H4,23,24,25,26)/t12-/m1/s1 | Synonyms: | 2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine | Definition date: | 2014-04-09 | Last modified: | 2021-03-13 | Release date: | 2015-02-18 | Identifier: | 2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine |
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![2Y7 2Y7](https://data.pdbj.org/pdbjplus/data/cc/svg/2Y7.svg) | 2Y7 | Name: | (S)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine | Formula: | C19 H22 F N5 O2 S2 | SMILES: | FCCOc1c(OC)ccc(c1)c2nc(c(s2)C)C(Sc3nc(N)cc(n3)N)C | InChi: | InChI=1S/C19H22FN5O2S2/c1-10-17(11(2)29-19-23-15(21)9-16(22)24-19)25-18(28-10)12-4-5-13(26-3)14(8-12)27-7-6-20/h4-5,8-9,11H,6-7H2,1-3H3,(H4,21,22,23,24)/t11-/m0/s1 | Synonyms: | 2-{[(1S)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine | Definition date: | 2014-04-10 | Last modified: | 2021-03-13 | Release date: | 2014-11-05 | Identifier: | 2-{[(1S)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine |
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![2Z3 2Z3](https://data.pdbj.org/pdbjplus/data/cc/svg/2Z3.svg) | 2Z3 | Name: | N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide | Formula: | C32 H49 F2 N5 O7 | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)(O)C(F)(F)C(=O)NC)CCCC)Cc2ccccc2)N3CCOCC3 | InChi: | InChI=1S/C32H49F2N5O7/c1-3-4-15-24(27(40)38-26(21-23-13-9-6-10-14-23)32(44,45)31(33,34)29(42)35-2)36-28(41)25(20-22-11-7-5-8-12-22)37-30(43)39-16-18-46-19-17-39/h5,7-8,11-12,23-26,44-45H,3-4,6,9-10,13-21H2,1-2H3,(H,35,42)(H,36,41)(H,37,43)(H,38,40)/t24-,25-,26-/m0/s1 | Synonyms: | CP-81,282 | Definition date: | 2008-08-28 | Last modified: | 2021-03-13 | Identifier: | N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide |
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![2ZS 2ZS](https://data.pdbj.org/pdbjplus/data/cc/svg/2ZS.svg) | 2ZS | Name: | N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R,2S)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide | Formula: | C31 H48 N4 O7 S | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(C(O)C(=O)OC(C)C)CC1CCCCC1)CSC)Cc2ccccc2)N3CCOCC3 | InChi: | InChI=1S/C31H48N4O7S/c1-21(2)42-30(39)27(36)24(18-22-10-6-4-7-11-22)32-29(38)26(20-43-3)33-28(37)25(19-23-12-8-5-9-13-23)34-31(40)35-14-16-41-17-15-35/h5,8-9,12-13,21-22,24-27,36H,4,6-7,10-11,14-20H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)/t24-,25-,26-,27+/m0/s1 | Synonyms: | CP-80,794 | Definition date: | 2008-09-08 | Last modified: | 2021-03-13 | Identifier: | N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1S,2R)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide |
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![301 301](https://data.pdbj.org/pdbjplus/data/cc/svg/301.svg) | 301 | Name: | N6-(penta-2,3-dienyl)adenine | Formula: | C10 H11 N5 | SMILES: | n1c(N=CCC=C/C)c2ncnc2nc1 | InChi: | InChI=1S/C10H11N5/c1-2-3-4-5-11-9-8-10(13-6-12-8)15-7-14-9/h2-3,5-7H,4H2,1H3,(H,12,13,14,15)/b3-2-,11-5+ | Synonyms: | N-[(1E,3Z)-pent-3-en-1-ylidene]-9H-purin-6-amine | Definition date: | 2008-01-14 | Last modified: | 2021-03-13 | Identifier: | N-[(1E,3Z)-pent-3-en-1-ylidene]-9H-purin-6-amine |
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![303 303](https://data.pdbj.org/pdbjplus/data/cc/svg/303.svg) | 303 | Name: | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE | Formula: | C24 H26 N4 O | SMILES: | O=C(c2cc1ccc(C(=[N@H])N)cc1cc2)Nc3ccc4c(c3)C(NCC4)C(C)C | InChi: | InChI=1S/C24H26N4O/c1-14(2)22-21-13-20(8-7-15(21)9-10-27-22)28-24(29)19-6-4-16-11-18(23(25)26)5-3-17(16)12-19/h3-8,11-14,22,27H,9-10H2,1-2H3,(H3,25,26)(H,28,29)/t22-/m0/s1 | Synonyms: | 6-[N-(1-ISOPROPYL-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE | Definition date: | 2003-04-09 | Last modified: | 2021-03-13 | Identifier: | 6-carbamimidoyl-N-[(1S)-1-(1-methylethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]naphthalene-2-carboxamide |
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![323 323](https://data.pdbj.org/pdbjplus/data/cc/svg/323.svg) | 323 | Name: | 2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate | Formula: | C25 H22 N2 O4 | SMILES: | [O-]C(=O)c4cc(C=O)ccc4C=1c3c(OC=2C=1C=C/C(=[N+](/C)C)C=2)cc(cc3)N(C)C | InChi: | InChI=1S/C25H22N2O4/c1-26(2)16-6-9-19-22(12-16)31-23-13-17(27(3)4)7-10-20(23)24(19)18-8-5-15(14-28)11-21(18)25(29)30/h5-14H,1-4H3 | Synonyms: | 5-Carboxy-N,N'-tetramethyl rhodamine | Definition date: | 2008-06-30 | Last modified: | 2021-03-13 | Identifier: | 2-[6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl]-5-formylbenzoate |
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![33N 33N](https://data.pdbj.org/pdbjplus/data/cc/svg/33N.svg) | 33N | Name: | N-(3,3-diphenylpropyl)pyridine-3-carboxamide | Formula: | C21 H20 N2 O | SMILES: | O=C(NCCC(c1ccccc1)c2ccccc2)c3cccnc3 | InChi: | InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24) | Synonyms: | N-(3,3-Diphenyl-propyl)-nicotinamide | Definition date: | 2009-07-01 | Last modified: | 2021-03-13 | Identifier: | N-(3,3-diphenylpropyl)pyridine-3-carboxamide |
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![34R 34R](https://data.pdbj.org/pdbjplus/data/cc/svg/34R.svg) | 34R | Name: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one | Formula: | C30 H28 N6 O3 | SMILES: | O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N5N=Cc3ccccc3C5c4ccccc4 | InChi: | InChI=1S/C30H28N6O3/c1-38-25-16-19(15-23-17-33-30(32)35-29(23)31)14-21(28(25)39-2)12-13-26(37)36-27(20-8-4-3-5-9-20)24-11-7-6-10-22(24)18-34-36/h3-14,16-18,27H,15H2,1-2H3,(H4,31,32,33,35)/b13-12+/t27-/m1/s1 | Synonyms: | (R,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-phenylphthalazin-2(1H)-yl)prop-2-en-1-one | Definition date: | 2012-04-17 | Last modified: | 2021-03-13 | Release date: | 2013-02-08 | Identifier: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one |
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![34S 34S](https://data.pdbj.org/pdbjplus/data/cc/svg/34S.svg) | 34S | Name: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one | Formula: | C30 H28 N6 O3 | SMILES: | O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N5N=Cc3ccccc3C5c4ccccc4 | InChi: | InChI=1S/C30H28N6O3/c1-38-25-16-19(15-23-17-33-30(32)35-29(23)31)14-21(28(25)39-2)12-13-26(37)36-27(20-8-4-3-5-9-20)24-11-7-6-10-22(24)18-34-36/h3-14,16-18,27H,15H2,1-2H3,(H4,31,32,33,35)/b13-12+/t27-/m0/s1 | Synonyms: | (S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-phenylphthalazin-2(1H)-yl)prop-2-en-1-one | Definition date: | 2012-04-17 | Last modified: | 2021-03-13 | Release date: | 2013-02-08 | Identifier: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one |
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![M99 M99](https://data.pdbj.org/pdbjplus/data/cc/svg/M99.svg) | M99 | Name: | (R)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1-OXIDE | Formula: | C23 H18 F8 N2 O4 S | SMILES: | FC(F)Oc2ccc(cc2OC1CC1)C(c3ncc(s3)C(O)(C(F)(F)F)C(F)(F)F)Cc4c[n+]([O-])ccc4 | InChi: | InChI=1S/C23H18F8N2O4S/c24-20(25)37-16-6-3-13(9-17(16)36-14-4-5-14)15(8-12-2-1-7-33(35)11-12)19-32-10-18(38-19)21(34,22(26,27)28)23(29,30)31/h1-3,6-7,9-11,14-15,20,34H,4-5,8H2/t15-/m1/s1 | Synonyms: | 2-{2-[(1R)-1-[3-(CYCLOPROPYLOXY)-4-(DIFLUOROMETHOXY)PHENYL]-2-(1-OXIDOPYRIDIN-3-YL)ETHYL]-1,3-THIAZOL-5-YL}-1,1,1,3,3,3-HEXAFLUOROPROPAN-2-OL | Definition date: | 2006-01-20 | Last modified: | 2021-03-13 | Identifier: | 2-{2-[(1R)-1-[3-(cyclopropyloxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-3-yl)ethyl]-1,3-thiazol-5-yl}-1,1,1,3,3,3-hexafluoropropan-2-ol |
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![364 364](https://data.pdbj.org/pdbjplus/data/cc/svg/364.svg) | 364 | Name: | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | Formula: | C19 H20 N O7 P2 | SMILES: | O=P(O)(O)C(O)(P(=O)(O)O)C[n+]3cccc(c2cc(c1ccccc1)ccc2)c3 | InChi: | InChI=1S/C19H19NO7P2/c21-19(28(22,23)24,29(25,26)27)14-20-11-5-10-18(13-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H3-,22,23,24,25,26,27)/p+1 | Synonyms: | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-BIS-PHOSPHONO-ETHYL)-PYRIDINIUM | Definition date: | 2007-01-30 | Last modified: | 2021-03-13 | Identifier: | 3-biphenyl-3-yl-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium |
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![365 365](https://data.pdbj.org/pdbjplus/data/cc/svg/365.svg) | 365 | Name: | [(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate | Formula: | C21 H27 B N6 O10 P | SMILES: | NC[CH]1O[B-]2(O[CH]3[CH](CO[P](O)(O)=O)O[CH]([CH]3O2)n4cnc5c(N)ncnc45)c6c(OCCCO)cccc16 | InChi: | InChI=1S/C21H27BN6O10P/c23-7-13-11-3-1-4-12(33-6-2-5-29)15(11)22(36-13)37-17-14(8-34-39(30,31)32)35-21(18(17)38-22)28-10-27-16-19(24)25-9-26-20(16)28/h1,3-4,9-10,13-14,17-18,21,29H,2,5-8,23H2,(H2,24,25,26)(H2,30,31,32)/q-1/p-2/t13-,14-,17-,18-,21-,22+/m1/s1 | Synonyms: | 3-AMINOMETHYL-7-(3-HYDROXY-PROPOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine | Definition date: | 2013-01-21 | Last modified: | 2021-03-13 | Release date: | 2013-04-17 | Identifier: | [(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate |
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![382 382](https://data.pdbj.org/pdbjplus/data/cc/svg/382.svg) | 382 | Name: | (R)-2-(2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL)-N-(2,2-DIFLUORO-2-(PIPERIDIN-2-YL)ETHYL)OXAZOLO[4,5-C]PYRIDIN-4-AMINE | Formula: | C22 H23 F2 N7 O | SMILES: | FC(F)(C1NCCCC1)CNc3nccc2oc(nc23)Cc5ccccc5n4ncnc4 | InChi: | InChI=1S/C22H23F2N7O/c23-22(24,18-7-3-4-9-26-18)12-28-21-20-17(8-10-27-21)32-19(30-20)11-15-5-1-2-6-16(15)31-14-25-13-29-31/h1-2,5-6,8,10,13-14,18,26H,3-4,7,9,11-12H2,(H,27,28)/t18-/m1/s1 | Synonyms: | N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE | Definition date: | 2005-04-28 | Last modified: | 2021-03-13 | Identifier: | N-{2,2-difluoro-2-[(2R)-piperidin-2-yl]ethyl}-2-[2-(1H-1,2,4-triazol-1-yl)benzyl][1,3]oxazolo[4,5-c]pyridin-4-amine |
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![MBD MBD](https://data.pdbj.org/pdbjplus/data/cc/svg/MBD.svg) | MBD | Name: | 3-METHYLCATECHOL | Formula: | C7 H8 O2 | SMILES: | Oc1c(cccc1O)C | InChi: | InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3 | Synonyms: | 3-METHYL-BENZENE-1,2-DIOL | Definition date: | 2001-12-19 | Last modified: | 2021-03-13 | Identifier: | 3-methylbenzene-1,2-diol |
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![MC MC](https://data.pdbj.org/pdbjplus/data/cc/svg/MC.svg) | MC | Name: | 1,2-CIS-1-HYDROXY-2,7-DIAMINO-MITOSENE | Formula: | C14 H16 N4 O5 | SMILES: | O=C1c2c(C(=O)C(N)=C1C)c(c3n2CC(N)C3O)COC(=O)N | InChi: | InChI=1S/C14H16N4O5/c1-4-8(16)13(21)7-5(3-23-14(17)22)9-12(20)6(15)2-18(9)10(7)11(4)19/h6,12,20H,2-3,15-16H2,1H3,(H2,17,22)/t6-,12-/m0/s1 | Synonyms: | CARBAMIC ACID 2,6-DIAMINO-1-HYDROXY-5-METHYL-4,7-DIOXO-2,3,4,7-TETRAHYDRO-1H-3A-AZA-CYCLOPENTA[A]INDEN-8-YLMETHYL ESTER | Definition date: | 2001-12-27 | Last modified: | 2021-03-13 | Identifier: | [(1S,2S)-2,7-diamino-1-hydroxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl]methyl carbamate |
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![MC0 MC0](https://data.pdbj.org/pdbjplus/data/cc/svg/MC0.svg) | MC0 | Name: | (S)-Methylmalonyl-Coenzyme A | Formula: | C25 H40 N7 O19 P3 S | SMILES: | c3n(C1OC(C(C1O)OP(O)(O)=O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)C(O)=O)c2ncnc(c2n3)N | InChi: | InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13+,16+,17+,18-,22+/m0/s1 | Synonyms: | (3S,5R,9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name) | Definition date: | 2020-06-11 | Last modified: | 2021-03-13 | Release date: | 2020-07-08 | Identifier: | (3S,5R,9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name) |
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![1OG 1OG](https://data.pdbj.org/pdbjplus/data/cc/svg/1OG.svg) | 1OG | Name: | 7-alkylidenecephalosporin DCM-1-10, bound form | Formula: | C16 H21 N O9 S | SMILES: | O=S1(=O)C(C(=O)OC(C)(C)C)C(C=NC(=C(C1)COC(=O)C)C(=O)O)C=O | InChi: | InChI=1S/C16H21NO9S/c1-9(19)25-7-11-8-27(23,24)13(15(22)26-16(2,3)4)10(6-18)5-17-12(11)14(20)21/h5-6,10,13H,7-8H2,1-4H3,(H,20,21)/b12-11-,17-5-/t10-,13+/m0/s1 | Synonyms: | (3Z,5Z,7S,8R)-3-[(acetyloxy)methyl]-8-(tert-butoxycarbonyl)-7-formyl-7,8-dihydro-2H-1,5-thiazocine-4-carboxylic acid 1,1-dioxide | Definition date: | 2013-04-11 | Last modified: | 2021-03-13 | Release date: | 2013-12-04 | Identifier: | (3Z,5Z,7S,8R)-3-[(acetyloxy)methyl]-8-(tert-butoxycarbonyl)-7-formyl-7,8-dihydro-2H-1,5-thiazocine-4-carboxylic acid 1,1-dioxide |
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![1OH 1OH](https://data.pdbj.org/pdbjplus/data/cc/svg/1OH.svg) | 1OH | Name: | 4-(1-methyl-1-phenylethyl)phenol | Formula: | C15 H16 O | SMILES: | Oc1ccc(cc1)C(c2ccccc2)(C)C | InChi: | InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3 | Synonyms: | 2-(4'-Hydroxyphenyl)-2-phenylpropane | Definition date: | 2007-10-11 | Last modified: | 2021-03-13 | Identifier: | 4-(1-methyl-1-phenylethyl)phenol |
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![MCT MCT](https://data.pdbj.org/pdbjplus/data/cc/svg/MCT.svg) | MCT | Name: | 4-METHYLCATECHOL | Formula: | C7 H8 O2 | SMILES: | Oc1ccc(cc1O)C | InChi: | InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 | Synonyms: | 4-METHYL-1,2-BENZENEDIOL | Definition date: | 1999-12-17 | Last modified: | 2021-03-13 | Identifier: | 4-methylbenzene-1,2-diol |
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