![40M 40M](https://data.pdbj.org/pdbjplus/data/cc/svg/40M.svg) | 40M | Name: | N-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide | Formula: | C26 H24 Cl2 N4 O3 | SMILES: | O=C(Nc1c(c(ccc1)C)Nc3ncc2cc(ccc2n3)c4c(c(cc(c4Cl)OC)OC)Cl)CC | InChi: | InChI=1S/C26H24Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h6-13H,5H2,1-4H3,(H,30,33)(H,29,31,32) | Synonyms: | BLU9931 bound form | Definition date: | 2015-01-05 | Last modified: | 2020-06-17 | Release date: | 2015-04-01 | Identifier: | N-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide |
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![IBC IBC](https://data.pdbj.org/pdbjplus/data/cc/svg/IBC.svg) | IBC | Name: | 3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]ISOXAZOL-4-YL)-L-ALANINE | Formula: | C11 H14 N2 O4 | SMILES: | O=C(O)C(N)CC2=CCCCc1onc(O)c12 | InChi: | InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1 | Synonyms: | 2-AMINO-3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]-4-ISOXAZOLYL)PROPIONIC ACID | Definition date: | 2004-12-16 | Last modified: | 2020-06-17 | Identifier: | 3-(3-hydroxy-7,8-dihydro-6H-cyclohepta[d]isoxazol-4-yl)-L-alanine |
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![IBN IBN](https://data.pdbj.org/pdbjplus/data/cc/svg/IBN.svg) | IBN | Name: | 2-METHYLPROPAN-1-AMINE | Formula: | C4 H11 N | SMILES: | NCC(C)C | InChi: | InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3 | Synonyms: | ISOBUTYRONITRILE | Definition date: | 2007-06-26 | Last modified: | 2020-06-17 | Identifier: | 2-methylpropan-1-amine |
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![IBP IBP](https://data.pdbj.org/pdbjplus/data/cc/svg/IBP.svg) | IBP | Name: | IBUPROFEN | Formula: | C13 H18 O2 | SMILES: | O=C(O)C(c1ccc(cc1)CC(C)C)C | InChi: | InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1 | Synonyms: | 2-(4-ISOBUTYLPHENYL)PROPIONIC ACID | Definition date: | 2000-04-10 | Last modified: | 2020-06-17 | Identifier: | (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid |
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![L8P L8P](https://data.pdbj.org/pdbjplus/data/cc/svg/L8P.svg) | L8P | Name: | ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid | Formula: | C8 H14 N3 O6 P | SMILES: | O=P(O)(O)COC(CN1C=CC(=NC1=O)N)CO | InChi: | InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1 | Synonyms: | Cidofovir | Definition date: | 2011-02-01 | Last modified: | 2020-06-17 | Identifier: | ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid |
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![L98 L98](https://data.pdbj.org/pdbjplus/data/cc/svg/L98.svg) | L98 | Name: | (2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-SULFANYLPROPANOIC ACID | Formula: | C10 H13 N3 O2 S | SMILES: | O=C(O)C(c1cc(NC(=[N@H])N)ccc1)CS | InChi: | InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)/t8-/m1/s1 | Synonyms: | 2-(3-GUANIDINOPHENYL)-3-MERCAPTOPROPANOIC ACID | Definition date: | 2005-04-28 | Last modified: | 2020-06-17 | Identifier: | (2R)-2-(3-carbamimidamidophenyl)-3-sulfanylpropanoic acid |
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![LAP LAP](https://data.pdbj.org/pdbjplus/data/cc/svg/LAP.svg) | LAP | Name: | [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM | Formula: | C20 H43 N O7 P | SMILES: | O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCC | InChi: | InChI=1S/C20H42NO7P/c1-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21(2,3)4/h19,22H,5-18H2,1-4H3/p+1 | Synonyms: | L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL | Definition date: | 2002-09-02 | Last modified: | 2020-06-17 | Identifier: | 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahenicosan-1-aminium 4-oxide |
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![LBV LBV](https://data.pdbj.org/pdbjplus/data/cc/svg/LBV.svg) | LBV | Name: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium
-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-
yl]propanoic acid | Formula: | C33 H37 N4 O6 | SMILES: | CC=C1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3[NH+]=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | InChi: | InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p+1/b20-7+,26-13-,27-14-,28-15-/t19-/m0/s1 | Synonyms: | 2(R),3(E)- PHYTOCHROMOBILIN | Definition date: | 2006-12-22 | Last modified: | 2020-06-17 | Identifier: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
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![0Z6 0Z6](https://data.pdbj.org/pdbjplus/data/cc/svg/0Z6.svg) | 0Z6 | Name: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide | Formula: | C25 H36 Cl N6 O3 | SMILES: | ClCC(O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[NH2+])N | InChi: | InChI=1S/C25H35ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-22,33H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/p+1/t19-,20+,21+,22-/m1/s1 | Synonyms: | FFRCK | Definition date: | 2008-07-30 | Last modified: | 2020-06-17 | Identifier: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide |
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![0ZP 0ZP](https://data.pdbj.org/pdbjplus/data/cc/svg/0ZP.svg) | 0ZP | Name: | N-[(1R,2R,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2R)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-y
l)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide | Formula: | C51 H68 N5 O4 | SMILES: | O=C(NCC(C)CC)C(CC(C)C)CC(O)C(NC(=O)C(NC(=O)C(Cc2c1ccccc1ccc2)Cc4c3ccccc3ccc4)Cc5cnc[nH+]5)CC6CCCCC6 | InChi: | InChI=1S/C51H67N5O4/c1-5-35(4)31-53-49(58)41(25-34(2)3)29-48(57)46(26-36-15-7-6-8-16-36)55-51(60)47(30-43-32-52-33-54-43)56-50(59)42(27-39-21-13-19-37-17-9-11-23-44(37)39)28-40-22-14-20-38-18-10-12-24-45(38)40/h9-14,17-24,32-36,41-42,46-48,57H,5-8,15-16,25-31H2,1-4H3,(H,52,54)(H,53,58)(H,55,60)(H,56,59)/p+1/t35-,41+,46-,47-,48-/m0/s1 | Synonyms: | PD125967 | Definition date: | 2008-08-12 | Last modified: | 2020-06-17 | Identifier: | N-[(1S,2S,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2S)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-yl)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide |
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![LDM LDM](https://data.pdbj.org/pdbjplus/data/cc/svg/LDM.svg) | LDM | Name: | 3-LAURYLAMIDO-N,N'-DIMETHYLPROPYLAMINOXYDE | Formula: | C17 H36 N2 O2 | SMILES: | [O-][N+](C)(CCCNC(=O)CCCCCCCCCCC)C | InChi: | InChI=1S/C17H36N2O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2,3)21/h4-16H2,1-3H3,(H,18,20) | Synonyms: | [3-(DODECANOYLAMINO)PROPYL](HYDROXY)DIMETHYLAMMONIUM | Definition date: | 2003-07-21 | Last modified: | 2020-06-17 | Identifier: | N-[3-(dimethylnitroryl)propyl]dodecanamide |
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![115 115](https://data.pdbj.org/pdbjplus/data/cc/svg/115.svg) | 115 | Name: | (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | Formula: | C24 H26 F N O4 | SMILES: | c12ccccc1n(c(c2c3ccc(cc3)F)C=CC(CC(O)CC(=O)O)O)C(C)C | InChi: | InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1 | Synonyms: | FLUVASTATIN | Definition date: | 2001-01-16 | Last modified: | 2020-06-17 | Identifier: | (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid |
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![116 116](https://data.pdbj.org/pdbjplus/data/cc/svg/116.svg) | 116 | Name: | 7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-DIHYDROXY-HEPTANOIC ACID | Formula: | C26 H36 F N O5 | SMILES: | O=C(O)CC(O)CC(O)CCc1c(nc(c(c1c2ccc(F)cc2)COC)C(C)C)C(C)C | InChi: | InChI=1S/C26H36FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-9,15-16,19-20,29-30H,10-14H2,1-5H3,(H,31,32)/t19-,20-/m1/s1 | Synonyms: | CERIVASTATIN | Definition date: | 2001-01-16 | Last modified: | 2020-06-17 | Identifier: | (3R,5R)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)pyridin-3-yl]-3,5-dihydroxyheptanoic acid |
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![117 117](https://data.pdbj.org/pdbjplus/data/cc/svg/117.svg) | 117 | Name: | 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID | Formula: | C33 H35 F N2 O5 | SMILES: | O=C(O)CC(O)CC(O)CCn2c(c(c(c2c1ccc(F)cc1)c3ccccc3)C(=O)Nc4ccccc4)C(C)C | InChi: | InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1 | Synonyms: | ATORVASTATIN | Definition date: | 2001-01-17 | Last modified: | 2020-06-17 | Identifier: | (3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid |
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![12J 12J](https://data.pdbj.org/pdbjplus/data/cc/svg/12J.svg) | 12J | Name: | 2-iodo-N-[3-(1-methylethoxy)phenyl]benzamide | Formula: | C16 H16 I N O2 | SMILES: | CC(C)Oc1cccc(NC(=O)c2ccccc2I)c1 | InChi: | InChI=1S/C16H16INO2/c1-11(2)20-13-7-5-6-12(10-13)18-16(19)14-8-3-4-9-15(14)17/h3-11H,1-2H3,(H,18,19) | Synonyms: | 2-Iodo-N-(3-isopropoxyphenyl)benzamide | Definition date: | 2010-02-19 | Last modified: | 2020-06-17 | Identifier: | 2-iodo-N-(3-propan-2-yloxyphenyl)benzamide |
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![K7I K7I](https://data.pdbj.org/pdbjplus/data/cc/svg/K7I.svg) | K7I | Name: | L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide | Formula: | C16 H25 N3 O3 | SMILES: | O=C(NC(C(=O)NC(Cc1ccccc1)C(O)C)C)C(N)C | InChi: | InChI=1S/C16H25N3O3/c1-10(17)15(21)18-11(2)16(22)19-14(12(3)20)9-13-7-5-4-6-8-13/h4-8,10-12,14,20H,9,17H2,1-3H3,(H,18,21)(H,19,22)/t10-,11-,12+,14-/m0/s1 | Synonyms: | ALA-ALA-PHE-CHLOROMETHYL KETONE | Definition date: | 2007-11-12 | Last modified: | 2020-06-17 | Identifier: | L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide |
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![143 143](https://data.pdbj.org/pdbjplus/data/cc/svg/143.svg) | 143 | Name: | S-2,3-DIHYDRO-5-GLYCIN-2-YL-ISOXAZOL-3-YL-CYSTEINE | Formula: | C8 H13 N3 O5 S | SMILES: | O=C(O)C(C=1ONC(SCC(N)C(=O)O)C=1)N | InChi: | InChI=1S/C8H13N3O5S/c9-3(7(12)13)2-17-5-1-4(16-11-5)6(10)8(14)15/h1,3,5-6,11H,2,9-10H2,(H,12,13)(H,14,15)/t3-,5+,6-/m0/s1 | Synonyms: | 2-AMINO-3-[5-(AMINO-CARBOXY-METHYL)-2,3-DIHYDRO-ISOXAZOL-3-YLSULFANYL]-PROPIONIC ACID | Definition date: | 2001-09-05 | Last modified: | 2020-06-17 | Identifier: | S-{(3R)-5-[(S)-amino(carboxy)methyl]-2,3-dihydroisoxazol-3-yl}-L-cysteine |
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![K95 K95](https://data.pdbj.org/pdbjplus/data/cc/svg/K95.svg) | K95 | Name: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]ami
no}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | Formula: | C37 H44 N4 O6 S2 | SMILES: | O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O)C(NC(=O)C(NC(=O)Cc3ccccc3)CSC)Cc4ccccc4)CSC5(C)C | InChi: | InChI=1S/C37H44N4O6S2/c1-37(2)33(35(46)40-31-26-17-11-10-16-25(26)20-29(31)42)41(22-49-37)36(47)32(44)27(18-23-12-6-4-7-13-23)39-34(45)28(21-48-3)38-30(43)19-24-14-8-5-9-15-24/h4-17,27-29,31-33,42,44H,18-22H2,1-3H3,(H,38,43)(H,39,45)(H,40,46)/t27-,28-,29+,31-,32-,33+/m0/s1 | Synonyms: | KNI-10395 | Definition date: | 2011-04-12 | Last modified: | 2020-06-17 | Identifier: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
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![155 155](https://data.pdbj.org/pdbjplus/data/cc/svg/155.svg) | 155 | Name: | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-3,4-DIHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE | Formula: | C24 H24 N4 O | SMILES: | O=C(c2cc1ccc(C(=[N@H])N)cc1cc2)Nc4ccc3c(C(=NCC3)C(C)C)c4 | InChi: | InChI=1S/C24H24N4O/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/h3-8,11-14H,9-10H2,1-2H3,(H3,25,26)(H,28,29) | Synonyms: | 6-[N-(1-ISOPROPYL-3,4-DIHYDRO-7-ISOQUINOLINYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE | Definition date: | 2003-04-09 | Last modified: | 2020-06-17 | Identifier: | 6-carbamimidoyl-N-[1-(1-methylethyl)-3,4-dihydroisoquinolin-7-yl]naphthalene-2-carboxamide |
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![18B 18B](https://data.pdbj.org/pdbjplus/data/cc/svg/18B.svg) | 18B | Name: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy
l]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid | Formula: | C33 H36 N4 O6 | SMILES: | CCC1=C(C)C(NC1=O)=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C=C)C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | InChi: | InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7,13-15,34H,1,8-12H2,2-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15- | Synonyms: | 181,182-dihydrobiliverdin | Definition date: | 2009-08-04 | Last modified: | 2020-06-17 | Identifier: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
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![M8F M8F](https://data.pdbj.org/pdbjplus/data/cc/svg/M8F.svg) | M8F | Name: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-methionine | Formula: | C14 H25 N3 O6 S2 | SMILES: | O=C(NC(C(=O)O)CCSC)C(NC(=O)CCCC(C(=O)O)N)CS | InChi: | InChI=1S/C14H25N3O6S2/c1-25-6-5-9(14(22)23)17-12(19)10(7-24)16-11(18)4-2-3-8(15)13(20)21/h8-10,24H,2-7,15H2,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9+,10-/m0/s1 | Synonyms: | L-D-(A-aminoadipoyl)-L-cysteinyl-D-methionine | Definition date: | 2011-01-19 | Last modified: | 2020-06-17 | Identifier: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-methionine |
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![M98 M98](https://data.pdbj.org/pdbjplus/data/cc/svg/M98.svg) | M98 | Name: | (S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHY
L)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-/m0/s1 | Synonyms: | 2-{2-[(1S)-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: | 2020-06-17 | Identifier: | 2-{2-[(1S)-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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![MG9 MG9](https://data.pdbj.org/pdbjplus/data/cc/svg/MG9.svg) | MG9 | Name: | 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol | Formula: | C21 H20 F6 N4 O3 S | SMILES: | O=S(=O)(c1ccc(nc1)N)N3CC(C#CC)N(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)CC3 | InChi: | InChI=1S/C21H20F6N4O3S/c1-2-3-16-13-30(35(33,34)17-8-9-18(28)29-12-17)10-11-31(16)15-6-4-14(5-7-15)19(32,20(22,23)24)21(25,26)27/h4-9,12,16,32H,10-11,13H2,1H3,(H2,28,29)/t16-/m0/s1 | Synonyms: | AMG-3969 | Definition date: | 2013-10-02 | Last modified: | 2020-06-17 | Release date: | 2014-05-07 | Identifier: | 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol |
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![MGE MGE](https://data.pdbj.org/pdbjplus/data/cc/svg/MGE.svg) | MGE | Name: | (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE | Formula: | C38 H72 O10 | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCCCCCCC | InChi: | InChI=1S/C38H72O10/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-34(41)47-31(30-46-38-37(44)36(43)35(42)32(28-39)48-38)29-45-33(40)26-24-22-20-18-14-12-10-8-6-4-2/h31-32,35-39,42-44H,3-30H2,1-2H3/t31-,32+,35+,36+,37+,38-/m1/s1 | Synonyms: | MONOGALACTOSYL-DIACYLGLYCEROL | Definition date: | 2005-10-03 | Last modified: | 2020-06-17 | Identifier: | (1S)-2-(alpha-L-allopyranosyloxy)-1-[(tridecanoyloxy)methyl]ethyl hexadecanoate |
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![MGH MGH](https://data.pdbj.org/pdbjplus/data/cc/svg/MGH.svg) | MGH | Name: | methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate | Formula: | C20 H24 N4 O6 | SMILES: | O=C(O)CN(C(=O)CCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2ncnc2 | InChi: | InChI=1S/C20H24N4O6/c1-30-20(29)16(9-15-10-21-13-22-15)23-17(25)11-24(12-19(27)28)18(26)8-7-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,21,22)(H,23,25)(H,27,28)/t16-/m1/s1 | Synonyms: | (S)-2-{2-[Carboxymethyl-(3-phenyl-propionyl)-amino]-acetylamino}-3-(3H-imidazol-4-yl)-propionic acid methyl ester | Definition date: | 2011-03-24 | Last modified: | 2020-06-17 | Release date: | 2013-08-28 | Identifier: | methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate |
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