![IH5 IH5](https://data.pdbj.org/pdbjplus/data/cc/svg/IH5.svg) | IH5 | Name: | {3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID | Formula: | C17 H16 Cl2 O4 | SMILES: | Clc2cc(cc(Cl)c2Oc1cc(c(O)cc1)C(C)C)CC(=O)O | InChi: | InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22) | Synonyms: | 3,5-DICHLORO-4-[(4-HYDROXY-3-ISOPROPYLPHENOXY)PHENYL]ACETIC ACID | Definition date: | 2003-05-05 | Last modified: | 2021-03-13 | Identifier: | {3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetic acid |
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![YXS YXS](https://data.pdbj.org/pdbjplus/data/cc/svg/YXS.svg) | YXS | Name: | (2S)-sulfonatepropionyl-CoA | Formula: | C24 H40 N7 O20 P3 S2 | SMILES: | O=P(OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(OP(OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(S(O)(=O)=O)C)(O)=O)(O)=O)(O)O | InChi: | InChI=1S/C24H40N7O20P3S2/c1-12(56(44,45)46)23(36)55-7-6-26-14(32)4-5-27-21(35)18(34)24(2,3)9-48-54(42,43)51-53(40,41)47-8-13-17(50-52(37,38)39)16(33)22(49-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,33-34H,4-9H2,1-3H3,(H,26,32)(H,27,35)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)(H,44,45,46)/t12-,13+,16+,17+,18-,22+/m0/s1 | Synonyms: | (2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanylidene-propane-2-sulfonic acid | Definition date: | 2019-02-25 | Last modified: | 2021-03-13 | Release date: | 2019-04-10 | 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-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosane-20-sulfonic acid 3,5-dioxide (non-preferred name) |
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![YY3 YY3](https://data.pdbj.org/pdbjplus/data/cc/svg/YY3.svg) | YY3 | Name: | N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide | Formula: | C28 H33 N7 O2 | SMILES: | CN(CCN(c1cc(c(cc1NC(C=C)=O)Nc2nc(ccn2)c3cn(c4c3cccc4)C)OC)C)C | InChi: | InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | Synonyms: | Osimertinib | Definition date: | 2015-04-14 | Last modified: | 2021-03-13 | Release date: | 2015-11-11 | Identifier: | N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide |
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![VOR VOR](https://data.pdbj.org/pdbjplus/data/cc/svg/VOR.svg) | VOR | Name: | Voriconazole | Formula: | C16 H14 F3 N5 O | SMILES: | Fc1cncnc1C(C(O)(c2ccc(F)cc2F)Cn3ncnc3)C | InChi: | InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1 | Synonyms: | (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol | Definition date: | 2010-04-01 | Last modified: | 2021-03-13 | Identifier: | (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol |
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![VQ1 VQ1](https://data.pdbj.org/pdbjplus/data/cc/svg/VQ1.svg) | VQ1 | Name: | N-Acetylpuromycin | Formula: | C24 H31 N7 O6 | SMILES: | C2(C(NC(C(NC(C)=O)Cc1ccc(OC)cc1)=O)C(CO)OC2n3cnc4c3ncnc4N(C)C)O | InChi: | InChI=1S/C24H31N7O6/c1-13(33)28-16(9-14-5-7-15(36-4)8-6-14)23(35)29-18-17(10-32)37-24(20(18)34)31-12-27-19-21(30(2)3)25-11-26-22(19)31/h5-8,11-12,16-18,20,24,32,34H,9-10H2,1-4H3,(H,28,33)(H,29,35)/t16-,17+,18+,20+,24+/m0/s1 | Synonyms: | 3'-[(N-acetyl-O-methyl-L-tyrosyl)amino]-3'-deoxy-N,N-dimethyladenosine | Definition date: | 2020-09-04 | Last modified: | 2021-03-13 | Release date: | 2021-03-17 | Identifier: | 3'-[(N-acetyl-O-methyl-L-tyrosyl)amino]-3'-deoxy-N,N-dimethyladenosine |
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![IMW IMW](https://data.pdbj.org/pdbjplus/data/cc/svg/IMW.svg) | IMW | Name: | 2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione | Formula: | C10 H12 O2 | SMILES: | O=C1C=C(C(=O)C=C1C(C)C)C | InChi: | InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3 | Synonyms: | Thymoquinone | Definition date: | 2010-05-06 | Last modified: | 2021-03-13 | Identifier: | 2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione |
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![IMY IMY](https://data.pdbj.org/pdbjplus/data/cc/svg/IMY.svg) | IMY | Name: | 1-{[4,5-BIS(4-CHLOROPHENYL)-2-(2-ISOPROPOXY-4-METHOXYPHENYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]CARBONYL}PIPERAZINE | Formula: | C30 H32 Cl2 N4 O3 | SMILES: | O=C(N2C(=NC(c1ccc(Cl)cc1)C2c3ccc(Cl)cc3)c4ccc(OC)cc4OC(C)C)N5CCNCC5 | InChi: | InChI=1S/C30H32Cl2N4O3/c1-19(2)39-26-18-24(38-3)12-13-25(26)29-34-27(20-4-8-22(31)9-5-20)28(21-6-10-23(32)11-7-21)36(29)30(37)35-16-14-33-15-17-35/h4-13,18-19,27-28,33H,14-17H2,1-3H3/t27-,28+/m0/s1 | Synonyms: | CIS-[4,5-BIS-(4-CHLOROPHENYL)-2-(2-ISOPROPOXY-4-METHOXYPHENYL)-4,5-DIHYD ROIMIDAZOL-1-YL]-PIPERAZIN-1-YL-METHANONE | Definition date: | 2004-06-28 | Last modified: | 2021-03-13 | Identifier: | 1-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methylethoxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazine |
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![VRP VRP](https://data.pdbj.org/pdbjplus/data/cc/svg/VRP.svg) | VRP | Name: | Myriocin | Formula: | C21 H39 N O6 | SMILES: | C(CCCCC=CCC(C(O)C(CO)(N)C(O)=O)O)CC(CCCCCC)=O | InChi: | InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1 | Synonyms: | (2S,3R,4R,6E)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid | Definition date: | 2020-09-11 | Last modified: | 2021-03-13 | Release date: | 2021-02-24 | Identifier: | (2S,3R,4R,6E)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid |
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![VSD VSD](https://data.pdbj.org/pdbjplus/data/cc/svg/VSD.svg) | VSD | Name: | 3-Dehydrosphinganine | Formula: | C18 H37 N O2 | SMILES: | C(C(C(N)CO)=O)CCCCCCCCCCCCCC | InChi: | InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/t17-/m0/s1 | Synonyms: | (2S,6E)-2-amino-1-hydroxyoctadec-6-en-3-one | Definition date: | 2020-09-11 | Last modified: | 2021-03-13 | Release date: | 2021-02-24 | Identifier: | (2S)-2-amino-1-hydroxyoctadecan-3-one |
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![ION ION](https://data.pdbj.org/pdbjplus/data/cc/svg/ION.svg) | ION | Name: | ARISTOLOCHENE | Formula: | C15 H24 | SMILES: | C2=C1CCCC(C)C1(CC(C(=C)C)C2)C | InChi: | InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15+/m0/s1 | Synonyms: | 6-ISOPROPENYL-4,4A-DIMETHYL-1,2,3,4,4A,5,6,7-OCTAHYDRO-NAPHTHALENE | Definition date: | 2000-06-01 | Last modified: | 2021-03-13 | Identifier: | (4S,4aR,6S)-4,4a-dimethyl-6-(1-methylethenyl)-1,2,3,4,4a,5,6,7-octahydronaphthalene |
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![Z96 Z96](https://data.pdbj.org/pdbjplus/data/cc/svg/Z96.svg) | Z96 | Name: | tert-butyl 4-{(11S)-8-chloro-6-[(R)-hydroxy(1-methyl-1H-imidazol-5-yl)methyl]-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}piperazine-1-carboxylate | Formula: | C28 H32 Cl N5 O3 | SMILES: | Cn1cncc1[CH](O)C2=Cc3cccnc3[CH](N4CCN(CC4)C(=O)OC(C)(C)C)c5ccc(Cl)cc25 | InChi: | InChI=1S/C28H32ClN5O3/c1-28(2,3)37-27(36)34-12-10-33(11-13-34)25-20-8-7-19(29)15-21(20)22(14-18-6-5-9-31-24(18)25)26(35)23-16-30-17-32(23)4/h5-9,14-17,25-26,35H,10-13H2,1-4H3/t25-,26+/m0/s1 | Synonyms: | 1,1-DIMETHYLETHYL 4-[8-CHLORO-6-[HYDROXY(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-11H-BENZO[5,6]CYCLOHEPTA[1,2-b]PYRIDIN-11(S)-YL]-1-PIPERAZINECARBOXYLATE | Definition date: | 2009-12-12 | Last modified: | 2021-03-13 |
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![Z99 Z99](https://data.pdbj.org/pdbjplus/data/cc/svg/Z99.svg) | Z99 | Name: | 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine | Formula: | C20 H19 N O5 | SMILES: | N[C](CC1c2ccccc2Oc3ccccc13)([CH]4C[CH]4C(O)=O)C(O)=O | InChi: | InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1 | Synonyms: | (1S,2S)-2-[(2S)-2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid | Definition date: | 2009-12-01 | Last modified: | 2021-03-13 | Identifier: | (1S,2S)-2-[(2S)-2-azanyl-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid |
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![IP5 IP5](https://data.pdbj.org/pdbjplus/data/cc/svg/IP5.svg) | IP5 | Name: | (1R,2S,3R,4S,5S,6R)-6-HYDROXYCYCLOHEXANE-1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)] | Formula: | C6 H17 O21 P5 | SMILES: | O=P(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O | InChi: | InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3+,4-,5-,6-/m0/s1 | Synonyms: | D-MYO-INS(1,2,3,4,5)P5 | Definition date: | 2006-08-25 | Last modified: | 2021-03-13 | Identifier: | (1R,2S,3R,4S,5S,6R)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] |
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![YPP YPP](https://data.pdbj.org/pdbjplus/data/cc/svg/YPP.svg) | YPP | Name: | Hydrolyzed piperacillin | Formula: | C23 H29 N5 O8 S | SMILES: | O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NC(=O)N3C(=O)C(=O)N(CC)CC3 | InChi: | InChI=1S/C23H29N5O8S/c1-4-27-10-11-28(19(31)18(27)30)22(36)25-13(12-8-6-5-7-9-12)16(29)24-14(20(32)33)17-26-15(21(34)35)23(2,3)37-17/h5-9,13-15,17,26H,4,10-11H2,1-3H3,(H,24,29)(H,25,36)(H,32,33)(H,34,35)/t13-,14+,15+,17-/m1/s1 | Synonyms: | (2R,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | Definition date: | 2011-01-06 | Last modified: | 2021-03-13 | Identifier: | (2R,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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![ZBT ZBT](https://data.pdbj.org/pdbjplus/data/cc/svg/ZBT.svg) | ZBT | Name: | 2-[(1S)-1-methylpropyl]-4,5-dihydro-1,3-thiazole | Formula: | C7 H13 N S | SMILES: | CC[CH](C)C1=NCCS1 | InChi: | InChI=1S/C7H13NS/c1-3-6(2)7-8-4-5-9-7/h6H,3-5H2,1-2H3/t6-/m0/s1 | Synonyms: | 2-sec-butyl-4,5-dihydrothiazole | Definition date: | 2009-12-16 | Last modified: | 2021-03-13 | Identifier: | 2-[(2S)-butan-2-yl]-4,5-dihydro-1,3-thiazole |
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![YR3 YR3](https://data.pdbj.org/pdbjplus/data/cc/svg/YR3.svg) | YR3 | Name: | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol | Formula: | C28 H42 O5 | SMILES: | O(c1ccc(cc1C)C(c2ccc(OCC(O)C(C)(C)C)c(c2)C)(CC)CC)CC(O)CO | InChi: | InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26-/m0/s1 | Synonyms: | (2S)-3-[4-(3-{4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}pentan-3-yl)-2-methylphenoxy]propane-1,2-diol | Definition date: | 2008-01-17 | Last modified: | 2021-03-13 | Identifier: | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol |
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![IQX IQX](https://data.pdbj.org/pdbjplus/data/cc/svg/IQX.svg) | IQX | Name: | N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide | Formula: | C16 H16 F N5 O3 S3 | SMILES: | O=S(=O)(c1sc(nc1C)C)Nc3cc(c2sc(nc2C)NC(=O)C)cnc3F | InChi: | InChI=1S/C16H16FN5O3S3/c1-7-13(27-16(20-7)21-9(3)23)11-5-12(14(17)18-6-11)22-28(24,25)15-8(2)19-10(4)26-15/h5-6,22H,1-4H3,(H,20,21,23) | Synonyms: | N-[5-[5-[(2,4-dimethylthiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridyl]-4-methyl-thiazol-2-yl]acetamide | Definition date: | 2010-04-13 | Last modified: | 2021-03-13 | Identifier: | N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide |
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![IRF IRF](https://data.pdbj.org/pdbjplus/data/cc/svg/IRF.svg) | IRF | Name: | 1-DEOXY-1-(8-IODO-7-METHYL-2,4-DIOXO-3,4-DIHYDROBENZO[G]PTERIDIN-10(2H)-YL)-D-RIBITOL | Formula: | C16 H17 I N4 O6 | SMILES: | Ic2cc1N(C3=NC(=O)NC(=O)C3=Nc1cc2C)CC(O)C(O)C(O)CO | InChi: | InChI=1S/C16H17IN4O6/c1-6-2-8-9(3-7(6)17)21(4-10(23)13(25)11(24)5-22)14-12(18-8)15(26)20-16(27)19-14/h2-3,10-11,13,22-25H,4-5H2,1H3,(H,20,26,27)/t10-,11+,13-/m0/s1 | Synonyms: | 8-IODO-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL) | Definition date: | 2006-08-01 | Last modified: | 2021-03-13 | Identifier: | 1-deoxy-1-(8-iodo-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol |
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![IS1 IS1](https://data.pdbj.org/pdbjplus/data/cc/svg/IS1.svg) | IS1 | Name: | 3-[(1E)-3-oxo-3-({4-[1-(phenylcarbonyl)piperidin-4-yl]butyl}amino)prop-1-en-1-yl]-1-beta-D-ribofuranosylpyridinium | Formula: | C29 H38 N3 O6 | SMILES: | O=C(c1ccccc1)N2CCC(CC2)CCCCNC(=O)C=Cc3ccc[n+](c3)C4OC(C(O)C4O)CO | InChi: | InChI=1S/C29H37N3O6/c33-20-24-26(35)27(36)29(38-24)32-16-6-8-22(19-32)11-12-25(34)30-15-5-4-7-21-13-17-31(18-14-21)28(37)23-9-2-1-3-10-23/h1-3,6,8-12,16,19,21,24,26-27,29,33,35-36H,4-5,7,13-15,17-18,20H2/p+1/b12-11+/t24-,26-,27-,29-/m1/s1 | Synonyms: | 3-((E)-3-(4-(1-benzoylpiperidin-4-yl)butylamino)-3-oxoprop-1-enyl)-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridinium | Definition date: | 2009-02-22 | Last modified: | 2021-03-13 | Identifier: | 3-[(1E)-3-oxo-3-({4-[1-(phenylcarbonyl)piperidin-4-yl]butyl}amino)prop-1-en-1-yl]-1-beta-D-ribofuranosylpyridinium |
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![YTT YTT](https://data.pdbj.org/pdbjplus/data/cc/svg/YTT.svg) | YTT | Name: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione | Formula: | C18 H18 N2 O4 | SMILES: | O=C1NC(C(=O)NC1Cc2ccc(O)cc2)Cc3ccc(O)cc3 | InChi: | InChI=1S/C18H18N2O4/c21-13-5-1-11(2-6-13)9-15-17(23)20-16(18(24)19-15)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10H2,(H,19,24)(H,20,23)/t15-,16-/m0/s1 | Synonyms: | cyclo(tyrosyl-tyrosyl) | Definition date: | 2009-03-12 | Last modified: | 2021-03-13 | Identifier: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione |
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![ITA ITA](https://data.pdbj.org/pdbjplus/data/cc/svg/ITA.svg) | ITA | Name: | {4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID | Formula: | C16 H11 N O9 S | SMILES: | O=C(O)COC(=O)c2cc1ccccc1c3c2S(=O)(=O)N(C3=O)CC(=O)O | InChi: | InChI=1S/C16H11NO9S/c18-11(19)6-17-15(22)13-9-4-2-1-3-8(9)5-10(14(13)27(17,24)25)16(23)26-7-12(20)21/h1-5H,6-7H2,(H,18,19)(H,20,21) | Synonyms: | 2-CARBOXYMETHYL-1,3,3-TRIOXO-1,2-DIHYDRONAPHTHO[ 1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID CARBOXYMETHYL ESTER | Definition date: | 2006-11-15 | Last modified: | 2021-03-13 | Identifier: | {4-[(carboxymethoxy)carbonyl]-3,3-dioxido-1-oxonaphtho[1,2-d]isothiazol-2(1H)-yl}acetic acid |
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![ITC ITC](https://data.pdbj.org/pdbjplus/data/cc/svg/ITC.svg) | ITC | Name: | ISO-7-CHLORTETRACYCLINE | Formula: | C22 H23 Cl N2 O8 | SMILES: | O=C3CC(C2(OC(=O)c1c(O)ccc(Cl)c12)C)CC4C3(O)C(=O)C(C(=O)N)=C(O)C4N(C)C | InChi: | InChI=1S/C22H23ClN2O8/c1-21(15-10(23)4-5-11(26)13(15)20(31)33-21)8-6-9-16(25(2)3)17(28)14(19(24)30)18(29)22(9,32)12(27)7-8/h4-5,8-9,16,26,28,32H,6-7H2,1-3H3,(H2,24,30)/t8-,9-,16-,21-,22-/m0/s1 | Synonyms: | (4S,4AS,6S,8AS)-6-[(1S)-7-CHLORO-4-HYDROXY-1-METHYL-3-OXO-1,3-DIHYDRO-2-BENZOFURAN-1-YL]-4-(DIMETHYLAMINO)-3,8A-DIHYDROXY-1,8-DIOXO-1,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALENE-2-CARBOXAMIDE | Definition date: | 2010-03-15 | Last modified: | 2021-03-13 | Identifier: | (4S,4aS,6S,8aS)-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxamide |
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![ZZ4 ZZ4](https://data.pdbj.org/pdbjplus/data/cc/svg/ZZ4.svg) | ZZ4 | Name: | 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine | Formula: | C16 H11 Cl2 N5 | SMILES: | Clc1ccc(c(Cl)c1)c3nc(ncc3/N=N/c2ccccc2)N | InChi: | InChI=1S/C16H11Cl2N5/c17-10-6-7-12(13(18)8-10)15-14(9-20-16(19)21-15)23-22-11-4-2-1-3-5-11/h1-9H,(H2,19,20,21)/b23-22+ | Synonyms: | 4-(2,4-DICHLORO-PHEYL)-5-PHENYLAZO-PYRIMIDIN-2YLAMINE | Definition date: | 2009-05-08 | Last modified: | 2021-03-13 | Identifier: | 4-(2,4-dichlorophenyl)-5-[(E)-phenyldiazenyl]pyrimidin-2-amine |
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![IVC IVC](https://data.pdbj.org/pdbjplus/data/cc/svg/IVC.svg) | IVC | Name: | Isovaleryl-coenzyme A | Formula: | C26 H44 N7 O17 P3 S | SMILES: | OP(OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(OP(=O)(O)OCC(C)(C(O)C(=O)NCCC(NCCSC(CC(C)C)=O)=O)C)(O)=O)(O)=O | InChi: | InChI=1S/C26H44N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,36-37H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21+,25-/m1/s1 | Synonyms: | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-methylbutanethioate | Definition date: | 2015-07-16 | Last modified: | 2021-03-13 | Release date: | 2015-09-09 | Identifier: | S-{(3S,5S,9R)-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-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-methylbutanethioate (non-preferred name) |
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![G2V G2V](https://data.pdbj.org/pdbjplus/data/cc/svg/G2V.svg) | G2V | Name: | 6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline | Formula: | C15 H17 N3 | SMILES: | C1CN(c2c1cc(cc2)c4cn3c(CCC3)n4)C | InChi: | InChI=1S/C15H17N3/c1-17-8-6-12-9-11(4-5-14(12)17)13-10-18-7-2-3-15(18)16-13/h4-5,9-10H,2-3,6-8H2,1H3 | Synonyms: | 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-2,3-dihydro-1H-indole | Definition date: | 2018-05-02 | Last modified: | 2021-03-13 | Release date: | 2018-09-05 | Identifier: | 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-2,3-dihydro-1H-indole |
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