![CO1 CO1](https://data.pdbj.org/pdbjplus/data/cc/svg/CO1.svg) | CO1 | Name: | 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC
LOPENTA[A]PHENANTHREN-3-OL | Formula: | C27 H44 O2 | SMILES: | OC4CC3=CCC5C2C(C(C(CCC1OC1(C)C)C)CC2)(C)CCC5C3(C)CC4 | InChi: | InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1 | Synonyms: | 24,25(S)-EPOXYCHOLESTEROL | Definition date: | 2003-05-13 | Last modified: | 2020-06-17 | Identifier: | (3beta,14beta,24S)-24,25-epoxycholest-5-en-3-ol |
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![COK COK](https://data.pdbj.org/pdbjplus/data/cc/svg/COK.svg) | COK | Name: | [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL
(3R)-3-HYDROXY-4-{[3-({2-[(2-HYDROXYETHYL)DITHIO]ETHYL}AMINO)-3-OXOPROPYL]AMINO}-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN
DIPHOSPHATE | Formula: | C23 H40 N7 O17 P3 S2 | SMILES: | O=C(NCCSSCCO)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | InChi: | InChI=1S/C23H40N7O17P3S2/c1-23(2,18(34)21(35)26-4-3-14(32)25-5-7-51-52-8-6-31)10-44-50(41,42)47-49(39,40)43-9-13-17(46-48(36,37)38)16(33)22(45-13)30-12-29-15-19(24)27-11-28-20(15)30/h11-13,16-18,22,31,33-34H,3-10H2,1-2H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1 | Synonyms: | S-(THIOETHYLHYDROXY)COENZYME A | Definition date: | 2006-03-22 | Last modified: | 2020-06-17 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-{[3-({2-[(2-hydroxyethyl)disulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name) |
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![URM URM](https://data.pdbj.org/pdbjplus/data/cc/svg/URM.svg) | URM | Name: | (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic
(((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric)
anhydride | Formula: | C16 H26 N2 O16 P2 | SMILES: | OC[CH]1O[CH](C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C16H26N2O16P2/c19-3-6-10(21)13(24)12(23)8(32-6)5-35(27,28)34-36(29,30)31-4-7-11(22)14(25)15(33-7)18-2-1-9(20)17-16(18)26/h1-2,6-8,10-15,19,21-25H,3-5H2,(H,27,28)(H,29,30)(H,17,20,26)/t6-,7-,8-,10+,11-,12+,13+,14-,15-/m1/s1 | Synonyms: | Uridine diphospho methylene galactopyranose | Definition date: | 2010-04-14 | Last modified: | 2020-06-17 | Identifier: | [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phosphinic acid |
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![4TZ 4TZ](https://data.pdbj.org/pdbjplus/data/cc/svg/4TZ.svg) | 4TZ | Name: | 4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE | Formula: | C16 H14 N6 O3 S | SMILES: | O=S(=O)(Oc1ccc(cc1)CN(n2cnnc2)c3ccc(C#N)cc3)N | InChi: | InChI=1S/C16H14N6O3S/c17-9-13-1-5-15(6-2-13)22(21-11-19-20-12-21)10-14-3-7-16(8-4-14)25-26(18,23)24/h1-8,11-12H,10H2,(H2,18,23,24) | Synonyms: | 4-[(4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE | Definition date: | 2005-02-01 | Last modified: | 2020-06-17 | Identifier: | 4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamate |
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![UU3 UU3](https://data.pdbj.org/pdbjplus/data/cc/svg/UU3.svg) | UU3 | Name: | (5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione | Formula: | C6 H6 O6 | SMILES: | O=C1C(=O)OC(C1=O)C(O)CO | InChi: | InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1 | Synonyms: | Dehydroascorbic Acid | Definition date: | 2014-10-15 | Last modified: | 2020-06-17 | Release date: | 2017-03-22 | Identifier: | (5R)-5-[(1S)-1,2-dihydroxyethyl]furan-2,3,4(5H)-trione (non-preferred name) |
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![4U3 4U3](https://data.pdbj.org/pdbjplus/data/cc/svg/4U3.svg) | 4U3 | Name: | 5-chloro-2'-deoxycytidine 5'-(dihydrogen phosphate) | Formula: | C9 H13 Cl N3 O7 P | SMILES: | C1(N=C(N)C(Cl)=CN1C2OC(COP(=O)(O)O)C(O)C2)=O | InChi: | InChI=1S/C9H13ClN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1 | Synonyms: | 5-Chloro-5'-deoxycytidine | Definition date: | 2015-05-27 | Last modified: | 2020-06-17 | Release date: | 2015-08-19 | Identifier: | 5-chloro-2'-deoxycytidine 5'-(dihydrogen phosphate) |
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![4UO 4UO](https://data.pdbj.org/pdbjplus/data/cc/svg/4UO.svg) | 4UO | Name: | 2,3-dihydroxanthosine | Formula: | C10 H12 N4 O6 | SMILES: | O=C1NC(=O)Nc2c1ncn2C3C(C(C(O3)CO)O)O | 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: | 2015-06-01 | Last modified: | 2020-06-17 | Release date: | 2015-07-01 | Identifier: | 2,3-dihydroxanthosine |
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![4V6 4V6](https://data.pdbj.org/pdbjplus/data/cc/svg/4V6.svg) | 4V6 | Name: | (3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide | Formula: | C10 H13 Cl N2 O2 S | SMILES: | c2c1S(N(C(C)N(c1ccc2Cl)C)C)(=O)=O | InChi: | InChI=1S/C10H13ClN2O2S/c1-7-12(2)9-5-4-8(11)6-10(9)16(14,15)13(7)3/h4-7H,1-3H3/t7-/m1/s1 | Synonyms: | BPAM-321 | Definition date: | 2015-06-04 | Last modified: | 2020-06-17 | Release date: | 2016-02-17 | Identifier: | (3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide |
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![4VO 4VO](https://data.pdbj.org/pdbjplus/data/cc/svg/4VO.svg) | 4VO | Name: | (2S,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-m
ethanonaphtho[2,1-g]indol-10-ol | Formula: | C28 H32 N2 O2 | SMILES: | C2CN(C)C3Cc1ccc(O)cc1C24C36C=CC5(C4NC(C5(C6)C)c7ccccc7)OC | InChi: | InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22-,23+,24+,25+,26-,27+,28+/m1/s1 | Synonyms: | BU72 | Definition date: | 2015-06-06 | Last modified: | 2020-06-17 | Release date: | 2015-08-05 | Identifier: | (2S,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol |
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![4WW 4WW](https://data.pdbj.org/pdbjplus/data/cc/svg/4WW.svg) | 4WW | Name: | bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)[mu-propane-1,3-bis(thiolate)-1kappa~2~S~1~,S~3~:2kappa~2~S~1~,S~3~]
diiron(2+) | Formula: | C8 H6 Fe2 N2 O3 S2 | SMILES: | O=C1[Fe]|2(S|3CCCS|2[Fe]1|3(C#N)C#[O+])(C#N)C#[O+] | InChi: | InChI=1S/C3H6S2.2CN.3CO.2Fe/c4-2-1-3-5 | Synonyms: | propane-dithiolato-bridged [2Fe2S] cluster | Definition date: | 2015-06-15 | Last modified: | 2020-06-17 | Release date: | 2015-11-11 |
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![4WX 4WX](https://data.pdbj.org/pdbjplus/data/cc/svg/4WX.svg) | 4WX | Name: | bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)-mu-(sulfanediyldimethanethiolatato-1kappaS:2kappaS)diiron(2+) | Formula: | C7 H4 Fe2 N2 O3 S3 | SMILES: | O=C1[Fe]|2(S|3CSCS|2[Fe]1|3(C#N)C#[O+])(C#N)C#[O+] | InChi: | InChI=1S/C2H4S3.2CN.3CO.2Fe/c3-1-5-2-4 | Synonyms: | sulfuro-dimethyl-dithiolato-bridged [2Fe2S] cluster | Definition date: | 2015-06-15 | Last modified: | 2020-06-17 | Release date: | 2015-11-11 |
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![4XW 4XW](https://data.pdbj.org/pdbjplus/data/cc/svg/4XW.svg) | 4XW | Name: | (5S,6S,9R,13R)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid | Formula: | C20 H36 O2 | SMILES: | C1(C=CCC(C1CCC(CCCC(C)CC(=O)O)C)C)(C)C | InChi: | InChI=1S/C20H36O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h7,13,15-18H,6,8-12,14H2,1-5H3,(H,21,22)/t15-,16-,17+,18+/m1/s1 | Synonyms: | 9-cis-13,14-dihydroretinoic acid | Definition date: | 2015-06-18 | Last modified: | 2020-06-17 | Release date: | 2016-03-30 | Identifier: | (5S,6S,9R,13R)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid |
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![4YP 4YP](https://data.pdbj.org/pdbjplus/data/cc/svg/4YP.svg) | 4YP | Name: | 2-amino-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione | Formula: | C18 H25 N O3 | SMILES: | CC(=[C@H]CCC(=[C@H]CC=1C(C(=C(C(C=1C)=O)N)OC)=O)C)C | InChi: | InChI=1S/C18H25NO3/c1-11(2)7-6-8-12(3)9-10-14-13(4)16(20)15(19)18(22-5)17(14)21/h7,9H,6,8,10,19H2,1-5H3/b12-9+ | Synonyms: | rhodoquinone-2 | Definition date: | 2015-06-26 | Last modified: | 2020-06-17 | Release date: | 2015-08-05 | Identifier: | 2-amino-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione |
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![4Z5 4Z5](https://data.pdbj.org/pdbjplus/data/cc/svg/4Z5.svg) | 4Z5 | Name: | 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea | Formula: | C23 H29 F N6 O | SMILES: | O=C(Nc1cc(c(cc1F)C)c2c(nc3c(c2)cnc(n3)NC)C)NCCC(C)(C)C | InChi: | InChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30) | Synonyms: | LY3009120 | Definition date: | 2015-06-29 | Last modified: | 2020-06-17 | Release date: | 2015-07-15 | Identifier: | 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea |
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![J76 J76](https://data.pdbj.org/pdbjplus/data/cc/svg/J76.svg) | J76 | Name: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(4-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)te
trahydro-2H-pyran-2-yl]oxy}octanamide | Formula: | C33 H56 N2 O10 | SMILES: | CCCCCCCC(NC(COC1C(C(C(C(O1)CO)O)O)O)C(O)C(O)CCCC(=O)Nc2ccc(cc2)CCCCC)=O | InChi: | InChI=1S/C33H56N2O10/c1-3-5-7-8-10-14-28(39)35-24(21-44-33-32(43)31(42)30(41)26(20-36)45-33)29(40)25(37)13-11-15-27(38)34-23-18-16-22(17-19-23)12-9-6-4-2/h16-19,24-26,29-33,36-37,40-43H,3-15,20-21H2,1-2H3,(H,34,38)(H,35,39)/t24-,25+,26+,29-,30-,31-,32+,33-/m0/s1 | Synonyms: | aGSA[8,P5p] | Definition date: | 2018-01-19 | Last modified: | 2020-06-17 | Release date: | 2019-01-30 | Identifier: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(4-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name) |
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![513 513](https://data.pdbj.org/pdbjplus/data/cc/svg/513.svg) | 513 | Name: | 1-(5-BROMO-1-BENZOTHIOPHEN-3-YL)METHANAMINE | Formula: | C9 H8 Br N S | SMILES: | Brc2cc1c(scc1CN)cc2 | InChi: | InChI=1S/C9H8BrNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4,11H2 | Synonyms: | FRAGMENT CC33513 | Definition date: | 2011-12-08 | Last modified: | 2020-06-17 | Identifier: | 1-(5-bromo-1-benzothiophen-3-yl)methanamine |
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![515 515](https://data.pdbj.org/pdbjplus/data/cc/svg/515.svg) | 515 | Name: | 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC
ACID | Formula: | C40 H37 N3 O10 | SMILES: | O=C(O)c1ccccc1N(C(=O)C(=O)O)c3c2c(cccc2)c(cc3)CC(NC(=O)C)C(=O)NCCCCCOc5c(cc4c(cccc4)c5)C(=O)O | InChi: | InChI=1S/C40H37N3O10/c1-24(44)42-32(36(45)41-19-9-2-10-20-53-35-23-26-12-4-3-11-25(26)21-31(35)39(49)50)22-27-17-18-34(29-14-6-5-13-28(27)29)43(37(46)40(51)52)33-16-8-7-15-30(33)38(47)48/h3-8,11-18,21,23,32H,2,9-10,19-20,22H2,1H3,(H,41,45)(H,42,44)(H,47,48)(H,49,50)(H,51,52)/t32-/m0/s1 | Synonyms: | COMPOUND 23 | Definition date: | 2003-01-30 | Last modified: | 2020-06-17 | Identifier: | 3-[(5-{[(2S)-2-(acetylamino)-3-{4-[(carboxycarbonyl)(2-carboxyphenyl)amino]naphthalen-1-yl}propanoyl]amino}pentyl)oxy]naphthalene-2-carboxylic acid (non-preferred name) |
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![51G 51G](https://data.pdbj.org/pdbjplus/data/cc/svg/51G.svg) | 51G | Name: | gentamicin C1 | Formula: | C21 H43 N5 O7 | SMILES: | OC1C(NC)C(C)(O)COC1OC2C(CC(N)C(C2O)OC3OC(CCC3N)C(NC)C)N | InChi: | InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1 | Synonyms: | (1S,2S,3R,4S,6R)-4,6-diamino-3-({(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]tetrahydro-2H-pyran-2-yl}oxy)-2-hydrox
ycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside | Definition date: | 2015-07-09 | Last modified: | 2020-06-17 | Release date: | 2016-03-16 | Identifier: | (1S,2S,3R,4S,6R)-4,6-diamino-3-({(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]tetrahydro-2H-pyran-2-yl}oxy)-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside |
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![51Q 51Q](https://data.pdbj.org/pdbjplus/data/cc/svg/51Q.svg) | 51Q | Name: | (2S)-2-[(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid | Formula: | C6 H7 N3 O4 S | SMILES: | OC(=O)C(SC=1C(=O)NC(O)=NN=1)C | InChi: | InChI=1S/C6H7N3O4S/c1-2(5(11)12)14-4-3(10)7-6(13)9-8-4/h2H,1H3,(H,11,12)(H2,7,9,10,13)/t2-/m0/s1 | Synonyms: | TyC5-03 | Definition date: | 2015-07-13 | Last modified: | 2020-06-17 | Release date: | 2016-10-19 | Identifier: | (2S)-2-[(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid |
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![52I 52I](https://data.pdbj.org/pdbjplus/data/cc/svg/52I.svg) | 52I | Name: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2
-en-1-one | Formula: | C28 H32 N6 O3 | SMILES: | O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N4N=Cc3ccccc3C4CC(C)C | InChi: | InChI=1S/C28H32N6O3/c1-17(2)11-23-22-8-6-5-7-20(22)16-32-34(23)25(35)10-9-19-12-18(14-24(36-3)26(19)37-4)13-21-15-31-28(30)33-27(21)29/h5-10,12,14-17,23H,11,13H2,1-4H3,(H4,29,30,31,33)/b10-9+/t23-/m1/s1 | Synonyms: | (R,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-isobutylphthalazin-2(1H)-yl)prop-2-en-1-one | Definition date: | 2012-04-17 | Last modified: | 2020-06-17 | Release date: | 2013-02-08 | Identifier: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2-en-1-one |
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![52L 52L](https://data.pdbj.org/pdbjplus/data/cc/svg/52L.svg) | 52L | Name: | DAHP Oxime | Formula: | C7 H14 N O10 P | SMILES: | N(/O)=C(C(O)=O)CC(C(O)C(COP(O)(O)=O)O)O | InChi: | InChI=1S/C7H14NO10P/c9-4(1-3(8-14)7(12)13)6(11)5(10)2-18-19(15,16)17/h4-6,9-11,14H,1-2H2,(H,12,13)(H2,15,16,17)/b8-3+/t4-,5-,6+/m1/s1 | Synonyms: | (2E,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxyimino)-7-(phosphonooxy)heptanoic acid | Definition date: | 2015-07-16 | Last modified: | 2020-06-17 | Release date: | 2016-08-10 | Identifier: | (2E,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxyimino)-7-(phosphonooxy)heptanoic acid |
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![52U 52U](https://data.pdbj.org/pdbjplus/data/cc/svg/52U.svg) | 52U | Name: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl
[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate | Formula: | C29 H40 N2 O8 S | SMILES: | c4cc(S(N(CC(O)C(NC(OC2C1C(OCC1)OCC2)=O)Cc3ccccc3)CC(C)C)(=O)=O)ccc4OC | InChi: | InChI=1S/C29H40N2O8S/c1-20(2)18-31(40(34,35)23-11-9-22(36-3)10-12-23)19-26(32)25(17-21-7-5-4-6-8-21)30-29(33)39-27-14-16-38-28-24(27)13-15-37-28/h4-12,20,24-28,32H,13-19H2,1-3H3,(H,30,33)/t24-,25-,26+,27-,28+/m0/s1 | Synonyms: | GRL-0476 | Definition date: | 2015-07-20 | Last modified: | 2020-06-17 | Release date: | 2016-01-13 | Identifier: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate |
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![52Z 52Z](https://data.pdbj.org/pdbjplus/data/cc/svg/52Z.svg) | 52Z | Name: | (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl
[(2S,3R)-3-hydroxy-1-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate | Formula: | C30 H42 N2 O10 S | SMILES: | c1cc(ccc1S(=O)(N(CC(C(Cc2ccc(cc2)OC)NC(OC3C4C(O)COC4OCC3)=O)O)CC(C)C)=O)OC | InChi: | InChI=1S/C30H42N2O10S/c1-19(2)16-32(43(36,37)23-11-9-22(39-4)10-12-23)17-25(33)24(15-20-5-7-21(38-3)8-6-20)31-30(35)42-27-13-14-40-29-28(27)26(34)18-41-29/h5-12,19,24-29,33-34H,13-18H2,1-4H3,(H,31,35)/t24-,25+,26-,27-,28-,29-/m0/s1 | Synonyms: | GRL-085 | Definition date: | 2015-07-20 | Last modified: | 2020-06-17 | Release date: | 2016-01-13 | Identifier: | (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-1-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate |
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![532 532](https://data.pdbj.org/pdbjplus/data/cc/svg/532.svg) | 532 | Name: | (5S)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4H-imidazol-4-one | Formula: | C19 H16 N4 O S | SMILES: | O=C4N(C(=NC4(c1ccsc1)c3cccc(c2cccnc2)c3)N)C | InChi: | InChI=1S/C19H16N4OS/c1-23-17(24)19(22-18(23)20,16-7-9-25-12-16)15-6-2-4-13(10-15)14-5-3-8-21-11-14/h2-12H,1H3,(H2,20,22)/t19-/m0/s1 | Synonyms: | WAY-253284 | Definition date: | 2011-06-03 | Last modified: | 2020-06-17 | Identifier: | (5S)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4H-imidazol-4-one |
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![53I 53I](https://data.pdbj.org/pdbjplus/data/cc/svg/53I.svg) | 53I | Name: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-y
l]prop-2-en-1-one | Formula: | C28 H30 N6 O3 | SMILES: | O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N4N=Cc3ccccc3C4C=C(/C)C | InChi: | InChI=1S/C28H30N6O3/c1-17(2)11-23-22-8-6-5-7-20(22)16-32-34(23)25(35)10-9-19-12-18(14-24(36-3)26(19)37-4)13-21-15-31-28(30)33-27(21)29/h5-12,14-16,23H,13H2,1-4H3,(H4,29,30,31,33)/b10-9+/t23-/m1/s1 | Synonyms: | (R,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl)pr
op-2-en-1-one | Definition date: | 2012-04-17 | Last modified: | 2020-06-17 | Release date: | 2013-02-08 | Identifier: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one |
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