![YMP YMP](https://data.pdbj.org/pdbjplus/data/cc/svg/YMP.svg) | YMP | Name: | O-(ADENOSINE-5'-O-YL)-N-(L-TYROSYL)PHOSPHORAMIDATE | Formula: | C19 H24 N7 O8 P | SMILES: | O=C(NP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4ccc(O)cc4 | InChi: | InChI=1S/C19H24N7O8P/c20-11(5-9-1-3-10(27)4-2-9)18(30)25-35(31,32)33-6-12-14(28)15(29)19(34-12)26-8-24-13-16(21)22-7-23-17(13)26/h1-4,7-8,11-12,14-15,19,27-29H,5-6,20H2,(H2,21,22,23)(H2,25,30,31,32)/t11-,12+,14+,15+,19+/m0/s1 | Synonyms: | TYROSYL-ADENYLATE ANALOGUE | Definition date: | 2006-05-02 | Last modified: | 2020-05-26 | Identifier: | 5'-O-[(S)-hydroxy(L-tyrosylamino)phosphoryl]adenosine |
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![WIN WIN](https://data.pdbj.org/pdbjplus/data/cc/svg/WIN.svg) | WIN | Name: | methyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)-15-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate | Formula: | C28 H36 O11 | SMILES: | O=C(OC)C15OCC24C1C(OC(=O)C=C(/C)C(C)C)C(=O)OC2CC3C(=C(O)C(=O)CC3(C)C4C(O)C5O)C | InChi: | InChI=1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1 | Synonyms: | Bruceantin | Definition date: | 2009-02-16 | Last modified: | 2020-05-26 | Identifier: | methyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)-15-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate |
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![WM1 WM1](https://data.pdbj.org/pdbjplus/data/cc/svg/WM1.svg) | WM1 | Name: | pyridine-2-carboxamide | Formula: | C6 H6 N2 O | SMILES: | O=C(N)c1ncccc1 | InChi: | InChI=1S/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9) | Synonyms: | Picolinamide | Definition date: | 2013-10-16 | Last modified: | 2020-05-26 | Release date: | 2015-08-12 | Identifier: | pyridine-2-carboxamide |
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![5UF 5UF](https://data.pdbj.org/pdbjplus/data/cc/svg/5UF.svg) | 5UF | Name: | (3~{S})-3-oxidanyldecanoic acid | Formula: | C10 H20 O3 | SMILES: | CCCCCCC[CH](O)CC(O)=O | InChi: | InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1 | Synonyms: | Myrmicacin | Definition date: | 2015-12-02 | Last modified: | 2020-05-26 | Release date: | 2015-12-29 | Identifier: | (3~{S})-3-oxidanyldecanoic acid |
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![XTS XTS](https://data.pdbj.org/pdbjplus/data/cc/svg/XTS.svg) | XTS | Name: | 9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-PURINE-2,6-DIONE | Formula: | C10 H12 N4 O6 | SMILES: | O=C3Nc1c(ncn1C2OC(C(O)C2O)CO)C(=O)N3 | InChi: | InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9+/m1/s1 | Synonyms: | XANTHOSINE | Definition date: | 2007-03-02 | Last modified: | 2020-05-26 | Identifier: | xanthosine |
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![1C6 1C6](https://data.pdbj.org/pdbjplus/data/cc/svg/1C6.svg) | 1C6 | Name: | 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole | Formula: | C17 H19 N3 O2 S | SMILES: | n2c1ccc(OC)cc1nc2SCc3ncc(c(OC)c3C)C | InChi: | InChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) | Synonyms: | omeprazole | Definition date: | 2013-04-29 | Last modified: | 2020-05-26 | Release date: | 2013-07-10 | Identifier: | 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole |
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![1E8 1E8](https://data.pdbj.org/pdbjplus/data/cc/svg/1E8.svg) | 1E8 | Name: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one | Formula: | C25 H24 N6 O2 | SMILES: | n1c(c2c(nc1)n(nc2c3ccc(cc3)Oc4ccccc4)C5CCCN(C5)C(=O)C=C)N | InChi: | InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 | Synonyms: | Imbruvica | Definition date: | 2012-12-18 | Last modified: | 2020-05-26 | Release date: | 2014-04-16 | Identifier: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one |
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![1F0 1F0](https://data.pdbj.org/pdbjplus/data/cc/svg/1F0.svg) | 1F0 | Name: | [(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone | Formula: | C38 H48 Cl2 N4 O4 S | SMILES: | O=C(N1CCN(CCCS(=O)(=O)C)CC1)N4C(=NC(c2ccc(Cl)cc2)(C4(c3ccc(Cl)cc3)C)C)c5ccc(cc5OCC)C(C)(C)C | InChi: | InChI=1S/C38H48Cl2N4O4S/c1-8-48-33-26-29(36(2,3)4)14-19-32(33)34-41-37(5,27-10-15-30(39)16-11-27)38(6,28-12-17-31(40)18-13-28)44(34)35(45)43-23-21-42(22-24-43)20-9-25-49(7,46)47/h10-19,26H,8-9,20-25H2,1-7H3/t37-,38+/m0/s1 | Synonyms: | RO5045337 | Definition date: | 2013-01-10 | Last modified: | 2020-05-26 | Release date: | 2013-02-15 | Identifier: | [(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone |
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![1J1 1J1](https://data.pdbj.org/pdbjplus/data/cc/svg/1J1.svg) | 1J1 | Name: | N~6~-[(2R)-3,4-dihydro-2H-pyrrol-2-ylcarbonyl]-L-lysine | Formula: | C11 H19 N3 O3 | SMILES: | O=C(NCCCCC(C(=O)O)N)C1N=CCC1 | InChi: | InChI=1S/C11H19N3O3/c12-8(11(16)17)4-1-2-6-14-10(15)9-5-3-7-13-9/h7-9H,1-6,12H2,(H,14,15)(H,16,17)/t8-,9+/m0/s1 | Synonyms: | pyrroline-carboxy-lysine | Definition date: | 2013-02-11 | Last modified: | 2020-05-26 | Release date: | 2013-06-12 | Identifier: | N~6~-[(2R)-3,4-dihydro-2H-pyrrol-2-ylcarbonyl]-L-lysine |
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![0JZ 0JZ](https://data.pdbj.org/pdbjplus/data/cc/svg/0JZ.svg) | 0JZ | Name: | (4R,11R,18R)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione | Formula: | C24 H30 N6 O3 Se3 | SMILES: | O=C3NC(c1[se]cc(n1)C(=O)NC(c4nc(C(=O)NC(c2[se]cc3n2)C(C)C)c[se]4)C(C)C)C(C)C | InChi: | InChI=1S/C24H30N6O3Se3/c1-10(2)16-22-25-14(7-34-22)20(32)29-18(12(5)6)24-27-15(9-36-24)21(33)30-17(11(3)4)23-26-13(8-35-23)19(31)28-16/h7-12,16-18H,1-6H3,(H,28,31)(H,29,32)(H,30,33)/t16-,17-,18-/m1/s1 | Synonyms: | cyclic-tris-(R)-valineselenazole | Definition date: | 2009-02-06 | Last modified: | 2020-05-26 | Identifier: | (4R,11R,18R)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione |
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![2Y5 2Y5](https://data.pdbj.org/pdbjplus/data/cc/svg/2Y5.svg) | 2Y5 | Name: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate | Formula: | C47 H84 O16 P2 | SMILES: | O=C(OCC(OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)46(43(51)45(47)53)62-64(54,55)56/h11,13,17,19,22,24,28,30,39,42-47,50-53H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,24-22-,30-28-/t39-,42-,43+,44-,45-,46+,47+/m1/s1 | Synonyms: | Phosphatidylinositol-4-phosphate | Definition date: | 2014-05-12 | Last modified: | 2020-05-26 | Release date: | 2015-07-29 | Identifier: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
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![37T 37T](https://data.pdbj.org/pdbjplus/data/cc/svg/37T.svg) | 37T | Name: | THEOBROMINE | Formula: | C7 H8 N4 O2 | SMILES: | O=C2N(c1ncn(c1C(=O)N2)C)C | InChi: | InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) | Synonyms: | 3,7-DIMETHYLXANTHINE | Definition date: | 2007-03-02 | Last modified: | 2020-05-26 | Identifier: | 3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
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![1SY 1SY](https://data.pdbj.org/pdbjplus/data/cc/svg/1SY.svg) | 1SY | Name: | cGAMP | Formula: | C20 H24 N10 O13 P2 | SMILES: | O=C7N=C(N)Nc1c7ncn1C5OC6COP(=O)(O)OC4C(OC(n2c3ncnc(N)c3nc2)C4O)COP(=O)(OC5C6O)O | InChi: | InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1 | Synonyms: | 2',3' cGAMP | Definition date: | 2013-05-24 | Last modified: | 2020-05-26 | Release date: | 2013-06-12 | Identifier: | 2-amino-9-[(2R,5R,7R,8R,10S,12aR,14R,15R,15aS,16R)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxidooctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecin-7-yl]-3,9-dihydro-6H-purin-6-one |
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![1WE 1WE](https://data.pdbj.org/pdbjplus/data/cc/svg/1WE.svg) | 1WE | Name: | (2S)-1-phenylpropan-2-amine | Formula: | C9 H13 N | SMILES: | NC(Cc1ccccc1)C | InChi: | InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1 | Synonyms: | Dextroamphetamine | Definition date: | 2013-07-05 | Last modified: | 2020-05-26 | Release date: | 2013-12-11 | Identifier: | (2S)-1-phenylpropan-2-amine |
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![70E 70E](https://data.pdbj.org/pdbjplus/data/cc/svg/70E.svg) | 70E | Name: | 6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-L-idopyranose | Formula: | C42 H82 O8 | SMILES: | C(OCC1C(C(C(C(O)O1)O)O)O)(C(C(O)CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCC)=O | InChi: | InChI=1S/C42H82O8/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-36(43)35(32-30-28-26-24-22-16-14-12-10-8-6-4-2)41(47)49-34-37-38(44)39(45)40(46)42(48)50-37/h35-40,42-46,48H,3-34H2,1-2H3/t35-,36-,37+,38-,39+,40-,42-/m1/s1 | Synonyms: | C36 GLUCOSE MONOMYCOLATE | Definition date: | 2016-08-04 | Last modified: | 2020-05-26 | Release date: | 2016-11-16 | Identifier: | 6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-L-idopyranose |
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![72B 72B](https://data.pdbj.org/pdbjplus/data/cc/svg/72B.svg) | 72B | Name: | [(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium | Formula: | C27 H29 F N5 O3 Ru S4 | SMILES: | O=C1c3c(C(=O)N1)c2cc(F)cn9c2c5c3c4cc(OC)ccc4n5[Ru]798(NCS)S6CCS8CC(NC)CS7CC6 | InChi: | InChI=1S/C18H10FN3O3.C8H17NS3.CH4NS.Ru/c1-25-8-2-3-11-9(5-8)12-14-13(17(23)22-18(14)24)10-4-7(19)6-20-15(10)16(12)21-11 | Synonyms: | (3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato)(N-methyl-1,4,7-trithiacyclodecan-9-amine)ruthenium(II)-isothiocyanate | Definition date: | 2014-12-21 | Last modified: | 2020-05-26 | Release date: | 2015-01-21 | Identifier: | [(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium |
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![73V 73V](https://data.pdbj.org/pdbjplus/data/cc/svg/73V.svg) | 73V | Name: | BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | Formula: | C25 H35 N3 O6 | SMILES: | O=C(NC(C(=O)N2C(C(=O)OCc1ccccc1)CCC2)C(C)CC)C3OC3C(=O)NCCC | InChi: | InChI=1S/C25H35N3O6/c1-4-13-26-22(29)20-21(34-20)23(30)27-19(16(3)5-2)24(31)28-14-9-12-18(28)25(32)33-15-17-10-7-6-8-11-17/h6-8,10-11,16,18-21H,4-5,9,12-15H2,1-3H3,(H,26,29)(H,27,30)/t16-,18-,19-,20-,21-/m0/s1 | Synonyms: | CA073 | Definition date: | 2006-01-04 | Last modified: | 2020-05-26 | Identifier: | benzyl N-{[(2S,3S)-3-(propylcarbamoyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-prolinate |
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![74M 74M](https://data.pdbj.org/pdbjplus/data/cc/svg/74M.svg) | 74M | Name: | METHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | Formula: | C19 H31 N3 O6 | SMILES: | O=C(NCCC)C2OC2C(=O)NC(C(=O)N1C(C(=O)OC)CCC1)C(C)CC | InChi: | InChI=1S/C19H31N3O6/c1-5-9-20-16(23)14-15(28-14)17(24)21-13(11(3)6-2)18(25)22-10-7-8-12(22)19(26)27-4/h11-15H,5-10H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,13-,14-,15-/m0/s1 | Synonyms: | CA074ME | Definition date: | 2006-01-05 | Last modified: | 2020-05-26 | Identifier: | methyl N-{[(2S,3S)-3-(propylcarbamoyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-prolinate |
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![75V 75V](https://data.pdbj.org/pdbjplus/data/cc/svg/75V.svg) | 75V | Name: | N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE | Formula: | C15 H24 N2 O7 | SMILES: | O=C(NC(C(=O)NC(C(=O)O)C)C(C)CC)C1OC1C(=O)OCC | InChi: | InChI=1S/C15H24N2O7/c1-5-7(3)9(12(18)16-8(4)14(20)21)17-13(19)10-11(24-10)15(22)23-6-2/h7-11H,5-6H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t7-,8-,9-,10-,11-/m0/s1 | Synonyms: | CA075 | Definition date: | 2006-01-06 | Last modified: | 2020-05-26 | Identifier: | N-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-alanine |
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![76V 76V](https://data.pdbj.org/pdbjplus/data/cc/svg/76V.svg) | 76V | Name: | N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE | Formula: | C18 H30 N2 O7 | SMILES: | O=C(NC(C(=O)NC(C(=O)O)C(C)CC)C(C)CC)C1OC1C(=O)OCC | InChi: | InChI=1S/C18H30N2O7/c1-6-9(4)11(15(21)20-12(17(23)24)10(5)7-2)19-16(22)13-14(27-13)18(25)26-8-3/h9-14H,6-8H2,1-5H3,(H,19,22)(H,20,21)(H,23,24)/t9-,10-,11-,12-,13-,14-/m0/s1 | Synonyms: | CA076 | Definition date: | 2006-01-05 | Last modified: | 2020-05-26 | Identifier: | N-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-isoleucine |
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![77B 77B](https://data.pdbj.org/pdbjplus/data/cc/svg/77B.svg) | 77B | Name: | BENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | Formula: | C29 H35 N3 O6 | SMILES: | O=C(NC(C(=O)N2C(C(=O)OCc1ccccc1)CCC2)C(C)CC)C4OC4C(=O)NCc3ccccc3 | InChi: | InChI=1S/C29H35N3O6/c1-3-19(2)23(31-27(34)25-24(38-25)26(33)30-17-20-11-6-4-7-12-20)28(35)32-16-10-15-22(32)29(36)37-18-21-13-8-5-9-14-21/h4-9,11-14,19,22-25H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-,25-/m0/s1 | Synonyms: | CA077 | Definition date: | 2006-01-05 | Last modified: | 2020-05-26 | Identifier: | benzyl N-{[(2S,3S)-3-(benzylcarbamoyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-prolinate |
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![0XW 0XW](https://data.pdbj.org/pdbjplus/data/cc/svg/0XW.svg) | 0XW | Name: | (2S,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate | Formula: | C7 H13 N O3 | SMILES: | O=C([O-])C1[N+](C)(C)CC(O)C1 | InChi: | InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1 | Synonyms: | Betonicine | Definition date: | 2012-09-17 | Last modified: | 2020-05-26 | Release date: | 2012-10-05 | Identifier: | (2S,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate |
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![0ZJ 0ZJ](https://data.pdbj.org/pdbjplus/data/cc/svg/0ZJ.svg) | 0ZJ | Name: | N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide | Formula: | C23 H36 Cl N6 O4 S | SMILES: | O=C(NC(CCCNC(=[NH2+])N)C(O)CCl)C2N(C(=O)C(NC(=O)CS)Cc1ccccc1)CCC2 | InChi: | InChI=1S/C23H35ClN6O4S/c24-13-19(31)16(8-4-10-27-23(25)26)29-21(33)18-9-5-11-30(18)22(34)17(28-20(32)14-35)12-15-6-2-1-3-7-15/h1-3,6-7,16-19,31,35H,4-5,8-14H2,(H,28,32)(H,29,33)(H4,25,26,27)/p+1/t16-,17+,18-,19+/m0/s1 | Synonyms: | ATA-FPR-CH2Cl | Definition date: | 2008-08-05 | Last modified: | 2020-05-26 | Identifier: | N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide |
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![0ZO 0ZO](https://data.pdbj.org/pdbjplus/data/cc/svg/0ZO.svg) | 0ZO | Name: | N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide | Formula: | C25 H35 Cl N4 O7 | SMILES: | O=C(NC(Cc1ccccc1)C(O)CCl)C2N(C(=O)C(NC(=O)C(NC(=O)CCC(=O)O)C)C)CCC2 | InChi: | InChI=1S/C25H35ClN4O7/c1-15(27-21(32)10-11-22(33)34)23(35)28-16(2)25(37)30-12-6-9-19(30)24(36)29-18(20(31)14-26)13-17-7-4-3-5-8-17/h3-5,7-8,15-16,18-20,31H,6,9-14H2,1-2H3,(H,27,32)(H,28,35)(H,29,36)(H,33,34)/t15-,16-,18-,19-,20+/m0/s1 | Synonyms: | AAPF-chloromethylketone | Definition date: | 2009-01-13 | Last modified: | 2020-05-26 | Identifier: | N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide |
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![142 142](https://data.pdbj.org/pdbjplus/data/cc/svg/142.svg) | 142 | Name: | CARBIDOPA | Formula: | C10 H14 N2 O4 | SMILES: | O=C(O)C(NN)(Cc1cc(O)c(O)cc1)C | InChi: | InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1 | Synonyms: | KINSON | Definition date: | 2001-08-23 | Last modified: | 2020-05-26 | Identifier: | (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazino-2-methylpropanoic acid |
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