![CUE CUE](https://data.pdbj.org/pdbjplus/data/cc/svg/CUE.svg) | CUE | Name: | Coumestrol | Formula: | C15 H8 O5 | SMILES: | O=C3Oc4cc(O)ccc4c2oc1c(ccc(O)c1)c23 | InChi: | InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H | Synonyms: | 3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one | Definition date: | 2009-09-29 | Last modified: | 2020-06-17 | Identifier: | 3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one |
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![28U 28U](https://data.pdbj.org/pdbjplus/data/cc/svg/28U.svg) | 28U | Name: | (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol | Formula: | C15 H26 O | SMILES: | OC(/C=C)(CC/C=C(/CC/C=C(C)C)C)C | InChi: | InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m0/s1 | Synonyms: | trans-Nerolidol | Definition date: | 2013-09-10 | Last modified: | 2020-06-17 | Release date: | 2014-01-29 | Identifier: | (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
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![292 292](https://data.pdbj.org/pdbjplus/data/cc/svg/292.svg) | 292 | Name: | N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDE | Formula: | C18 H17 N3 O | SMILES: | O=C(Nc1cc(nn1)C2CC2)Cc4cc3ccccc3cc4 | InChi: | InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)14-7-8-14)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,11,14H,7-8,10H2,(H2,19,20,21,22) | Synonyms: | PNU-292137 INHIBITOR | Definition date: | 2004-05-07 | Last modified: | 2020-06-17 | Identifier: | N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylacetamide |
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![CV1 CV1](https://data.pdbj.org/pdbjplus/data/cc/svg/CV1.svg) | CV1 | Name: | (2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8
,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide | Formula: | C15 H21 Br N5 O13 P2 | SMILES: | Brc2nc1c(N)[n+]4cnc1n2C3OC(C(O)C3O)COP(=O)(OP(=O)(O)OCC5OC4C(O)C5O)O | InChi: | InChI=1S/C15H20BrN5O13P2/c16-15-19-6-11(17)20-3-18-12(6)21(15)14-10(25)8(23)5(33-14)2-31-36(28,29)34-35(26,27)30-1-4-7(22)9(24)13(20)32-4/h3-5,7-10,13-14,17,22-25H,1-2H2,(H2,26,27,28,29)/p-1/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1 | Synonyms: | 8-BROMO-CYCLIC-ADP-RIBOSE | Definition date: | 2011-09-07 | Last modified: | 2020-06-17 | Identifier: | (2R,3R,4S,5R,8R,10R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-1(24),18,20,22-tetraene 8,10-dioxide (non-preferred name) |
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![299 299](https://data.pdbj.org/pdbjplus/data/cc/svg/299.svg) | 299 | Name: | 2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE | Formula: | C9 H9 O6 P | SMILES: | O=P(Oc1c(cc(cc1C=O)C)C=O)(O)O | InChi: | InChI=1S/C9H9O6P/c1-6-2-7(4-10)9(8(3-6)5-11)15-16(12,13)14/h2-5H,1H3,(H2,12,13,14) | Synonyms: | RU78299 | Definition date: | 2003-06-20 | Last modified: | 2020-06-17 | Identifier: | 2,6-diformyl-4-methylphenyl dihydrogen phosphate |
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![29S 29S](https://data.pdbj.org/pdbjplus/data/cc/svg/29S.svg) | 29S | Name: | Bazedoxifene | Formula: | C30 H34 N2 O3 | SMILES: | Oc1ccc(cc1)c3c(c2cc(O)ccc2n3Cc5ccc(OCCN4CCCCCC4)cc5)C | InChi: | InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3 | Synonyms: | 1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol | Definition date: | 2013-09-13 | Last modified: | 2020-06-17 | Release date: | 2016-01-13 | Identifier: | 1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol |
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![29W 29W](https://data.pdbj.org/pdbjplus/data/cc/svg/29W.svg) | 29W | Name: | (5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid | Formula: | C19 H18 N2 O6 S | SMILES: | O=S(=O)(c1ccc(cc1)C)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O | InChi: | InChI=1S/C19H18N2O6S/c1-12-3-6-15(7-4-12)28(25,26)20-19(24)17-10-13-9-14(27-2)5-8-16(13)21(17)11-18(22)23/h3-10H,11H2,1-2H3,(H,20,24)(H,22,23) | Synonyms: | 2-(5-METHOXY-2-(TOSYLCARBAMOYL)-1H-INDOL-1-YL)ACETIC ACID | Definition date: | 2013-09-16 | Last modified: | 2020-06-17 | Release date: | 2014-08-27 | Identifier: | (5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid |
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![CWH CWH](https://data.pdbj.org/pdbjplus/data/cc/svg/CWH.svg) | CWH | Name: | [(2~{S},5~{R},8~{S},11~{S})-1-[(2~{R},3~{R},5~{R},6~{S})-3,5-dimethyl-6-oxidanyl-4-oxidanylidene-oxan-2-yl]-5,11-dimeth
yl-8-oxidanyl-13-[[(2~{S})-2-oxidanylpropanoyl]amino]tridecan-2-yl] ethanoate | Formula: | C27 H49 N O8 | SMILES: | C[CH](CCNC(=O)[CH](C)O)CC[CH](O)CC[CH](C)CC[CH](C[CH]1O[CH](O)[CH](C)C(=O)[CH]1C)OC(C)=O | InChi: | InChI=1S/C27H49NO8/c1-16(7-10-22(31)11-8-17(2)13-14-28-26(33)20(5)29)9-12-23(35-21(6)30)15-24-18(3)25(32)19(4)27(34)36-24/h16-20,22-24,27,29,31,34H,7-15H2,1-6H3,(H,28,33)/t16-,17+,18-,19+,20+,22+,23+,24-,27+/m1/s1 | Synonyms: | LC-KA05 | Definition date: | 2017-12-11 | Last modified: | 2020-06-17 | Release date: | 2018-09-19 | Identifier: | [(2~{S},5~{R},8~{S},11~{S})-1-[(2~{R},3~{R},5~{R},6~{S})-3,5-dimethyl-6-oxidanyl-4-oxidanylidene-oxan-2-yl]-5,11-dimethyl-8-oxidanyl-13-[[(2~{S})-2-oxidanylpropanoyl]amino]tridecan-2-yl] ethanoate |
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![CX7 CX7](https://data.pdbj.org/pdbjplus/data/cc/svg/CX7.svg) | CX7 | Name: | Cotylenol | Formula: | C21 H34 O4 | SMILES: | O(C)CC3(O)C2=CC1(C(=C(CC1)C(C)C)C(O)C(O)C(C2CC3)C)C | InChi: | InChI=1S/C21H34O4/c1-12(2)14-6-8-20(4)10-16-15(7-9-21(16,24)11-25-5)13(3)18(22)19(23)17(14)20/h10,12-13,15,18-19,22-24H,6-9,11H2,1-5H3/b16-10+/t13-,15+,18-,19-,20-,21+/m1/s1 | Synonyms: | (1R,3aS,4R,5R,6R,9aR,10E)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-decahydrodicyclopenta[a
,d][8]annulene-1,5,6-triol | Definition date: | 2011-07-06 | Last modified: | 2020-06-17 | Release date: | 2016-05-04 | Identifier: | (1R,3aS,4R,5R,6R,9aR,10E)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-decahydrodicyclopenta[a,d][8]annulene-1,5,6-triol |
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![2BA 2BA](https://data.pdbj.org/pdbjplus/data/cc/svg/2BA.svg) | 2BA | Name: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8
]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide | Formula: | C20 H24 N10 O12 P2 | SMILES: | O=P5(OCC7OC(n1c2ncnc(N)c2nc1)C(O)C7OP(=O)(O)OCC6OC(n3c4ncnc(N)c4nc3)C(O)C6O5)O | InChi: | InChI=1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(31)13-7(39-19)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)32)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 | Synonyms: | bis-(3',5')-cyclic-dimeric-Adenosine-monophosphate | Definition date: | 2008-01-29 | Last modified: | 2020-06-17 | Identifier: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide |
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![CX9 CX9](https://data.pdbj.org/pdbjplus/data/cc/svg/CX9.svg) | CX9 | Name: | 3,7-DIMETHYL-1-[3-(3-METHYL-2,6-DIOXO-9H-PURIN-1-YL)PROPYL]PURINE-2,6-DIONE | Formula: | C16 H18 N8 O4 | SMILES: | Cn1cnc2N(C)C(=O)N(CCCN3C(=O)N(C)c4[nH]cnc4C3=O)C(=O)c12 | InChi: | InChI=1S/C16H18N8O4/c1-20-8-19-12-10(20)14(26)24(16(28)22(12)3)6-4-5-23-13(25)9-11(18-7-17-9)21(2)15(23)27/h7-8H,4-6H2,1-3H3,(H,17,18) | Synonyms: | BISDIONIN F | Definition date: | 2011-03-10 | Last modified: | 2020-06-17 | Identifier: | 3,7-dimethyl-1-[3-(3-methyl-2,6-dioxo-9H-purin-1-yl)propyl]purine-2,6-dione |
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![CXN CXN](https://data.pdbj.org/pdbjplus/data/cc/svg/CXN.svg) | CXN | Name: | CLOXACILLIN | Formula: | C19 H18 Cl N3 O5 S | SMILES: | O=C(O)C3N4C(=O)C(NC(=O)c2c(onc2c1ccccc1Cl)C)C4SC3(C)C | InChi: | InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1 | Synonyms: | [3-(O-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL]PENICILLIN | Definition date: | 2000-08-10 | Last modified: | 2020-06-17 | Identifier: | (2S,5R,6R)-6-({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
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![2BQ 2BQ](https://data.pdbj.org/pdbjplus/data/cc/svg/2BQ.svg) | 2BQ | Name: | 2-hydroxysaclofen | Formula: | C9 H12 Cl N O4 S | SMILES: | Clc1ccc(cc1)C(O)(CN)CS(=O)(=O)O | InChi: | InChI=1S/C9H12ClNO4S/c10-8-3-1-7(2-4-8)9(12,5-11)6-16(13,14)15/h1-4,12H,5-6,11H2,(H,13,14,15)/t9-/m0/s1 | Synonyms: | (2S)-3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid | Definition date: | 2013-09-19 | Last modified: | 2020-06-17 | Release date: | 2013-12-11 | Identifier: | (2S)-3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid |
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![2BS 2BS](https://data.pdbj.org/pdbjplus/data/cc/svg/2BS.svg) | 2BS | Name: | ethyl 2-amino-1,3-benzothiazole-6-carboxylate | Formula: | C10 H10 N2 O2 S | SMILES: | CCOC(=O)c1ccc2nc(N)sc2c1 | InChi: | InChI=1S/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12) | Synonyms: | 2-amino-benzothiazole-6-carboxylic acid ethyl ester | Definition date: | 2009-11-03 | Last modified: | 2020-06-17 | Identifier: | ethyl 2-azanyl-1,3-benzothiazole-6-carboxylate |
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![CXR CXR](https://data.pdbj.org/pdbjplus/data/cc/svg/CXR.svg) | CXR | Name: | CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE | Formula: | C15 H21 N5 O13 P2 | SMILES: | O=P4(OCC5OC(n1c2N=CN(C(=[N@H])c2nc1)C3OC(C(O)C3O)COP(=O)(O)O4)C(O)C5O)O | InChi: | InChI=1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H,25,26)(H,27,28)/b16-12+/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 | Synonyms: | CYCLIC ADP-RIBOSE | Definition date: | 2005-10-05 | Last modified: | 2020-06-17 | Identifier: | (2R,3R,4S,5R,8S,10R,13R,14S,15R,16R,24E)-24-imino-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-18,20,22-triene-3,4,8,10,14,15-hexol 8,10-dioxide (non-preferred name) |
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![2BW 2BW](https://data.pdbj.org/pdbjplus/data/cc/svg/2BW.svg) | 2BW | Name: | (S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid | Formula: | C8 H20 N O4 P | SMILES: | O=P(O)(CCCN)C(OCC)OCC | InChi: | InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11) | Synonyms: | CGP 35348 | Definition date: | 2013-09-19 | Last modified: | 2020-06-17 | Release date: | 2013-12-11 | Identifier: | (S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid |
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![CXV CXV](https://data.pdbj.org/pdbjplus/data/cc/svg/CXV.svg) | CXV | Name: | (2R,4S)-2-[(1S)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolid
ine-4-carboxylic acid | Formula: | C19 H20 Cl N3 O5 S | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2Cl)C | InChi: | InChI=1S/C19H20ClN3O5S/c1-9-13(14(23-28-9)10-6-4-5-7-11(10)20)16(25)21-12(8-24)17-22-15(18(26)27)19(2,3)29-17/h4-8,12,15,17,22H,1-3H3,(H,21,25)(H,26,27)/t12-,15-,17+/m0/s1 | Synonyms: | CLOXACILLIN open form (1R form) | Definition date: | 2011-08-17 | Last modified: | 2020-06-17 | Identifier: | (2R,4S)-2-[(1S)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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![2BY 2BY](https://data.pdbj.org/pdbjplus/data/cc/svg/2BY.svg) | 2BY | Name: | phaclofen | Formula: | C9 H13 Cl N O3 P | SMILES: | Clc1ccc(cc1)C(CP(=O)(O)O)CN | InChi: | InChI=1S/C9H13ClNO3P/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H2,12,13,14)/t8-/m1/s1 | Synonyms: | [(2R)-3-amino-2-(4-chlorophenyl)propyl]phosphonic acid | Definition date: | 2013-09-19 | Last modified: | 2020-06-17 | Release date: | 2013-12-11 | Identifier: | [(2R)-3-amino-2-(4-chlorophenyl)propyl]phosphonic acid |
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![CXX CXX](https://data.pdbj.org/pdbjplus/data/cc/svg/CXX.svg) | CXX | Name: | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | Formula: | C19 H23 Cl N2 | SMILES: | Clc1ccc3c(c1)N(c2ccccc2CC3)CCCN(C)C | InChi: | InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3 | Synonyms: | 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz[b,f]azepine | Definition date: | 2007-06-07 | Last modified: | 2020-06-17 | Identifier: | 3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine |
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![2C0 2C0](https://data.pdbj.org/pdbjplus/data/cc/svg/2C0.svg) | 2C0 | Name: | baclofen | Formula: | C10 H12 Cl N O2 | SMILES: | Clc1ccc(cc1)C(CN)CC(=O)O | InChi: | InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1 | Synonyms: | (3R)-4-amino-3-(4-chlorophenyl)butanoic acid | Definition date: | 2013-09-19 | Last modified: | 2020-06-17 | Release date: | 2013-12-11 | Identifier: | (3R)-4-amino-3-(4-chlorophenyl)butanoic acid |
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![2CC 2CC](https://data.pdbj.org/pdbjplus/data/cc/svg/2CC.svg) | 2CC | Name: | 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid | Formula: | C22 H13 Cl2 N3 O4 | SMILES: | Clc1cccc2c1ncc2c5c(C(=O)O)nc(C(=O)O)c5c4c3cccc(Cl)c3nc4 | InChi: | InChI=1S/C22H13Cl2N3O4/c23-13-5-1-3-9-11(7-25-17(9)13)15-16(20(22(30)31)27-19(15)21(28)29)12-8-26-18-10(12)4-2-6-14(18)24/h1-8,25-27H,(H,28,29)(H,30,31) | Synonyms: | 11,11'-Dichlorochromopyrrolic Acid | Definition date: | 2009-04-13 | Last modified: | 2020-06-17 | Identifier: | 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid |
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![CYR CYR](https://data.pdbj.org/pdbjplus/data/cc/svg/CYR.svg) | CYR | Name: | N~5~-[{[(2R)-2-AMINO-2-CARBOXYETHYL]SULFANYL}(IMINIO)METHYL]-L-ORNITHINATE | Formula: | C9 H19 N4 O4 S | SMILES: | O=C(O)C(N)CCCNC(SCC(N)C(=O)O)=[NH2+] | InChi: | InChI=1S/C9H18N4O4S/c10-5(7(14)15)2-1-3-13-9(12)18-4-6(11)8(16)17/h5-6H,1-4,10-11H2,(H2,12,13)(H,14,15)(H,16,17)/p+1/t5-,6-/m0/s1 | Synonyms: | L-CYSTEIN-S-1-(IMINOMETHYL)-L-ORNITHINE | Definition date: | 2005-08-04 | Last modified: | 2020-06-17 | Identifier: | {[(4S)-4-amino-4-carboxybutyl]amino}{[(2R)-2-amino-2-carboxyethyl]sulfanyl}methaniminium |
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![CYZ CYZ](https://data.pdbj.org/pdbjplus/data/cc/svg/CYZ.svg) | CYZ | Name: | CYCLOTHIAZIDE | Formula: | C14 H16 Cl N3 O4 S2 | SMILES: | O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)C4C3C=CC(C3)C4)N | InChi: | InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)/t7-,8+,9-,14-/m0/s1 | Synonyms: | 3-BICYCLO[2.2.1]HEPT-5-EN-2-YL-6-CHLORO-3,4- DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1 DIOXIDE | Definition date: | 2002-04-08 | Last modified: | 2020-06-17 | Identifier: | (3S)-3-[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide |
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![CZB CZB](https://data.pdbj.org/pdbjplus/data/cc/svg/CZB.svg) | CZB | Name: | (2S,8R)-8-BENZYL-2-(4-BROMOBENZYL)-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE | Formula: | C26 H22 Br N3 O4 | SMILES: | Brc1ccc(cc1)CC5(OO)N=C2N(C=C(NC2Cc3ccccc3)c4ccc(O)cc4)C5=O | InChi: | InChI=1S/C26H22BrN3O4/c27-20-10-6-18(7-11-20)15-26(34-33)25(32)30-16-23(19-8-12-21(31)13-9-19)28-22(24(30)29-26)14-17-4-2-1-3-5-17/h1-13,16,22,28,31,33H,14-15H2/t22-,26-/m0/s1 | Synonyms: | BR-COELENETERAZINE | Definition date: | 2003-07-07 | Last modified: | 2020-06-17 | Identifier: | (2S,8S)-8-benzyl-2-(4-bromobenzyl)-2-hydroperoxy-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one |
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![CZH CZH](https://data.pdbj.org/pdbjplus/data/cc/svg/CZH.svg) | CZH | Name: | C2-HYDROPEROXY-COELENTERAZINE | Formula: | C26 H21 N3 O5 | SMILES: | O=C1N3C=C(N=C(C3=NC1(OO)Cc2ccc(O)cc2)Cc4ccccc4)c5ccc(O)cc5 | InChi: | InChI=1S/C26H21N3O5/c30-20-10-6-18(7-11-20)15-26(34-33)25(32)29-16-23(19-8-12-21(31)13-9-19)27-22(24(29)28-26)14-17-4-2-1-3-5-17/h1-13,16,30-31,33H,14-15H2/t26-/m0/s1 | Synonyms: | 8-BENZYL-2-HYDROPEROXY-2-(4-HYDROXY-BENZYL)-6-(4-HYDROXY-PHENYL)-2H-IMIDAZO[1,2-A]PYRAZIN-3-ONE | Definition date: | 2000-03-07 | Last modified: | 2020-06-17 | Identifier: | (2S)-8-benzyl-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3(2H)-one |
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