| NP0 | Name: | N-hydroxypropan-1-amine | Formula: | C3 H9 N O | SMILES: | CCCNO | InChi: | InChI=1S/C3H9NO/c1-2-3-4-5/h4-5H,2-3H2,1H3 | Synonyms: | 1-nitrosopropane, bound form | Definition date: | 2017-08-24 | Last modified: | 2020-06-17 | Release date: | 2019-07-17 | Identifier: | N-hydroxypropan-1-amine |
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| M28 | Name: | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | Formula: | C9 H11 N O4 S | SMILES: | O=S(=O)(c1ccc(cc1)CCC(=O)O)N | InChi: | InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14) | Synonyms: | P-CARBOXYETHYLBENZENESULFONAMIDE | Definition date: | 2006-10-27 | Last modified: | 2020-06-17 | Identifier: | 3-(4-sulfamoylphenyl)propanoic acid |
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| PEV | Name: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE | Formula: | C39 H78 N O8 P | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C39H78NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m0/s1 | Synonyms: | PHOSPHATIDYLETHANOLAMINE | Definition date: | 2006-07-06 | Last modified: | 2020-06-17 | Identifier: | (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl octadecanoate |
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| PEW | Name: | (1R)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (9S,10S)-9,10-DIBROMOOCTADECANOATE | Formula: | C39 H76 Br2 N O8 P | SMILES: | BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OC(COP(=O)(OCCN)O)COC(=O)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C39H76Br2NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-21-25-29-38(43)47-33-35(34-49-51(45,46)48-32-31-42)50-39(44)30-26-22-18-20-24-28-37(41)36(40)27-23-19-10-8-6-4-2/h35-37H,3-34,42H2,1-2H3,(H,45,46)/t35-,36+,37+/m1/s1 | Synonyms: | DIBROMINATED PHOSPHATIDYLETHANOLAMINE | Definition date: | 2006-07-06 | Last modified: | 2020-06-17 | Identifier: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9S,10S)-9,10-dibromooctadecanoate |
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| PF3 | Name: | (2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID | Formula: | C25 H20 N2 O3 S | SMILES: | O=C(O)CC(c1ccccc1)NC(=O)c4scc(c3ccc(c2ccncc2)cc3)c4 | InChi: | InChI=1S/C25H20N2O3S/c28-24(29)15-22(20-4-2-1-3-5-20)27-25(30)23-14-21(16-31-23)18-8-6-17(7-9-18)19-10-12-26-13-11-19/h1-14,16,22H,15H2,(H,27,30)(H,28,29)/t22-/m1/s1 | Synonyms: | PF-00356231 | Definition date: | 2003-12-12 | Last modified: | 2020-06-17 | Identifier: | (3R)-3-phenyl-3-({[4-(4-pyridin-4-ylphenyl)thiophen-2-yl]carbonyl}amino)propanoic acid |
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| 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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| NPS | Name: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | Formula: | C14 H14 O3 | SMILES: | O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C | InChi: | InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | Synonyms: | NAPROXEN | Definition date: | 2007-10-04 | Last modified: | 2020-06-17 | Identifier: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid |
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| PFL | Name: | 2,6-BIS(1-METHYLETHYL)PHENOL | Formula: | C12 H18 O | SMILES: | Oc1c(cccc1C(C)C)C(C)C | InChi: | InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3 | Synonyms: | 2,6-DIISOPROPYLPHENOL | Definition date: | 2000-08-29 | Last modified: | 2020-06-17 | Identifier: | 2,6-bis(1-methylethyl)phenol |
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| PFN | Name: | FENOPROFEN | Formula: | C15 H14 O3 | SMILES: | O=C(O)C(c2cc(Oc1ccccc1)ccc2)C | InChi: | InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)/t11-/m1/s1 | Synonyms: | (2R)-2-(3-PHENOXYPHENYL)PROPANOIC ACID | Definition date: | 2010-02-26 | Last modified: | 2020-06-17 | Identifier: | (2R)-2-(3-phenoxyphenyl)propanoic acid |
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| K21 | Name: | 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-BENZOTHIAZEPINE | Formula: | C25 H32 N2 O2 S | SMILES: | O=C(N1Cc2c(SCC1)ccc(OC)c2)CCN4CCC(Cc3ccccc3)CC4 | InChi: | InChI=1S/C25H32N2O2S/c1-29-23-7-8-24-22(18-23)19-27(15-16-30-24)25(28)11-14-26-12-9-21(10-13-26)17-20-5-3-2-4-6-20/h2-8,18,21H,9-17,19H2,1H3 | Synonyms: | K201 | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | 4-[3-(4-benzylpiperidin-1-yl)propanoyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine |
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| CDX | Name: | (S)-4,4'-(1-METHYL-1,2-ETHANEDIYL)BIS-2,6-PIPERAZINEDIONE | Formula: | C11 H16 N4 O4 | SMILES: | O=C2NC(=O)CN(CC(N1CC(=O)NC(=O)C1)C)C2 | InChi: | InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m1/s1 | Synonyms: | ICRF-187 | Definition date: | 2003-07-25 | Last modified: | 2020-06-17 | Identifier: | 4,4'-(2R)-propane-1,2-diyldipiperazine-2,6-dione |
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| Q82 | Name: | {[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS(4-HYDROXYMETHYL)METHYL]-4,7-BIS(PHENYLMETHYL)
-2H-1,3-DIAZEPIN-2-YLIDENE]CYANAMIDE} | Formula: | C36 H38 N4 O4 | SMILES: | N#CN=C1N(C(C(O)C(O)C(N1Cc2ccc(cc2)CO)Cc3ccccc3)Cc4ccccc4)Cc5ccc(cc5)CO | InChi: | InChI=1S/C36H38N4O4/c37-25-38-36-39(21-28-11-15-30(23-41)16-12-28)32(19-26-7-3-1-4-8-26)34(43)35(44)33(20-27-9-5-2-6-10-27)40(36)22-29-13-17-31(24-42)18-14-29/h1-18,32-35,41-44H,19-24H2/t32-,33-,34+,35+/m1/s1 | Synonyms: | Q8261 | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | {(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-ylidene}cyanamide |
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| RFC | Name: | (R)-IBUPROFENOYL-COENZYME A | Formula: | C34 H53 N7 O17 P3 S | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC([n+]2cnc1c2ncnc1N)C(O)C3OP(=O)(O)O)C(c4ccc(cc4)CC(C)C)C | InChi: | InChI=1S/C34H52N7O17P3S/c1-19(2)14-21-6-8-22(9-7-21)20(3)33(46)62-13-12-36-24(42)10-11-37-31(45)28(44)34(4,5)16-55-61(52,53)58-60(50,51)54-15-23-27(57-59(47,48)49)26(43)32(56-23)41-18-40-25-29(35)38-17-39-30(25)41/h6-9,17-20,23,26-28,32,43-44H,10-16H2,1-5H3,(H8,35,36,37,38,39,42,45,47,48,49,50,51,52,53)/p+1/t20-,23-,26-,27-,28+,32-/m1/s1 | Synonyms: | [5-(6-AMINOPURIN-9-YL)-2-[[[[3-[2-(2-(R)-2-[4-(2-METHYLPROPYL)PHENYL] PROPANOYL)-SULFANYLETHYLCARBAMOYL
ETHYLCARBAMOYL]-3-HYDROXY-2,2-DIMETHYL-PROPOXY]-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL]OXYMETHYL]-4-HYDROXY-OXOLAN-3-
YL]OXYPHOSPHONIC ACID | Definition date: | 2006-03-23 | Last modified: | 2020-06-17 | Identifier: | 6-amino-9-[(2R,3R,4S,5R)-3-hydroxy-4-(phosphonooxy)-5-{(3S,5R,9R,20R)-3,5,9-trihydroxy-8,8-dimethyl-20-[4-(2-methylpropyl)phenyl]-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-1-yl}tetrahydrofuran-2-yl]-7H-purin-9-ium (non-preferred name) |
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| MJI | Name: | 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE | Formula: | C22 H44 F3 O6 P | SMILES: | FC(F)(F)COCC(OP(=O)(OC)O)COCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C22H44F3O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29-18-21(31-32(26,27)28-2)19-30-20-22(23,24)25/h21H,3-20H2,1-2H3,(H,26,27)/t21-/m1/s1 | Synonyms: | MJ33 INHIBITOR | Definition date: | 2000-10-17 | Last modified: | 2020-06-17 | Identifier: | (1R)-2-(hexadecyloxy)-1-[(2,2,2-trifluoroethoxy)methyl]ethyl methyl hydrogen (R)-phosphate |
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| O6P | Name: | Doripenem | Formula: | C15 H24 N4 O6 S2 | SMILES: | C2(C(SC1CC(CNS(N)(=O)=O)NC1)=C(C(O)=O)N3C2C(C3=O)C(C)O)C | InChi: | InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1 | Synonyms: | (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-aza
bicyclo[3.2.0]hept-2-ene-2-carboxylic acid | Definition date: | 2019-06-12 | Last modified: | 2020-06-17 | Release date: | 2019-08-07 | Identifier: | (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
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| PGK | Name: | (1R)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL
(9S,10S)-9,10-DIBROMOOCTADECANOATE | Formula: | C40 H77 Br2 O10 P | SMILES: | BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C40H77Br2O10P/c1-3-5-7-9-11-12-13-14-15-16-17-21-25-29-39(45)49-33-36(34-51-53(47,48)50-32-35(44)31-43)52-40(46)30-26-22-18-20-24-28-38(42)37(41)27-23-19-10-8-6-4-2/h35-38,43-44H,3-34H2,1-2H3,(H,47,48)/t35-,36-,37+,38+/m1/s1 | Synonyms: | DIBROMINATED PHOSPHATIDYLGLYCEROL | Definition date: | 2006-07-06 | Last modified: | 2020-06-17 | Identifier: | (1R)-2-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9S,10S)-9,10-dibromooctadecanoate |
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| PGT | Name: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE | Formula: | C40 H79 O10 P | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC(O)CO)O)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C40H79O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/t37-,38+/m1/s1 | Synonyms: | PHOSPHATIDYLGLYCEROL | Definition date: | 2006-07-06 | Last modified: | 2020-06-17 | Identifier: | (1S)-2-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl octadecanoate |
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| PGW | Name: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl
(9Z)-octadec-9-enoate | Formula: | C40 H77 O10 P | SMILES: | O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=C/CCCCCCCC | InChi: | InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-/t37-,38+/m0/s1 | Synonyms: | 1-Palmitoyl-2-Oleoyl-sn-Glycero-3-[Phospho-(1-glycerol)] | Definition date: | 2007-11-02 | Last modified: | 2020-06-17 | Identifier: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate |
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| ML0 | Name: | 4-{2-amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-L-phenylalanine | Formula: | C27 H22 F4 N4 O3 | SMILES: | Fc1cccc(c1)c2ccc(cc2)C(Oc4nc(nc(c3ccc(cc3)CC(C(=O)O)N)c4)N)C(F)(F)F | InChi: | InChI=1S/C27H22F4N4O3/c28-20-3-1-2-19(13-20)16-8-10-18(11-9-16)24(27(29,30)31)38-23-14-22(34-26(33)35-23)17-6-4-15(5-7-17)12-21(32)25(36)37/h1-11,13-14,21,24H,12,32H2,(H,36,37)(H2,33,34,35)/t21-,24+/m0/s1 | Synonyms: | (S)-2-Amino-3-(4-{2-amino-6-[(S)-1-(3'-fluoro-biphenyl-4-yl)-ethoxy]-pyrimidin-4-yl}-phenyl)-propionic acid | Definition date: | 2009-05-31 | Last modified: | 2020-06-17 | Identifier: | 4-{2-amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-L-phenylalanine |
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| RHM | Name: | DELTA-ALPHA-RH[2R,9R-DIAMINO-4,7-DIAZADECANE]9,10-PHENANTHRENEQUINONE DIIMINE | Formula: | C22 H27 N6 Rh | SMILES: | N3=C6c1ccccc1c2ccccc2C6=N[Rh+2]345NC(C)CNCCN5CC(N4)C | InChi: | InChI=1S/C14H8N2.C8H19N4.Rh/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16 | Synonyms: | RH(ME2TRIEN)PHI | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | [(2R,2'R)-N~1~,N~1~'-ethane-1,2-diyldipropane-1,2-diaminato(3-)-kappa~2~N,N'][phenanthrene-9,10-diiminato(2-)-kappa~2~N,N']rhodium(2+) |
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| 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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| L00 | Name: | (2R)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid
in-4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-amine | Formula: | C26 H35 Cl N6 O4 S | SMILES: | O=S(=O)(N(c2nc(N(CC1CC1C)CCOC)cc(c2Cl)c3nnc(o3)C(N)(C)Cc4ccccc4)C)C | InChi: | InChI=1S/C26H35ClN6O4S/c1-17-13-19(17)16-33(11-12-36-4)21-14-20(22(27)23(29-21)32(3)38(5,34)35)24-30-31-25(37-24)26(2,28)15-18-9-7-6-8-10-18/h6-10,14,17,19H,11-13,15-16,28H2,1-5H3/t17-,19+,26+/m0/s1 | Synonyms: | N-(4-{5-[(1R)-1-AMINO-1-METHYL-2-PHENYLETHYL]-1,3,4-OXADIAZOL-2-YL}-3-CHLORO-6-[(2-METHOXYETHYL){[(1S,2S)-2-METHYLCYCLO
PROPYL]METHYL}AMINO]PYRIDIN-2-YL)-N-METHYLMETHANESULFONAMIDE | Definition date: | 2006-11-10 | Last modified: | 2020-06-17 | Identifier: | N-(4-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl}-3-chloro-6-[(2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino]pyridin-2-yl)-N-methylmethanesulfonamide |
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| PI3 | Name: | 11-[1-HYDROXY-2-(3-METHYL-BUTYLAMINO)-ETHYL]-8-ISOPROPYL-2-OXA-7,10-
DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14-TRIENE-6,9-DIONE | Formula: | C24 H39 N3 O4 | SMILES: | O=C1NC(C(O)CNCCC(C)C)Cc2ccc(OCCCC(=O)NC1C(C)C)cc2 | InChi: | InChI=1S/C24H39N3O4/c1-16(2)11-12-25-15-21(28)20-14-18-7-9-19(10-8-18)31-13-5-6-22(29)27-23(17(3)4)24(30)26-20/h7-10,16-17,20-21,23,25,28H,5-6,11-15H2,1-4H3,(H,26,30)(H,27,29)/t20-,21+,23-/m0/s1 | Synonyms: | MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 3 | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (8S,11S)-11-{(1R)-1-hydroxy-2-[(3-methylbutyl)amino]ethyl}-8-(1-methylethyl)-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-6,9-dione |
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| TJE | Name: | (2S)-2-{[(S)-{(1R)-1-[(N-acetyl-L-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid | Formula: | C24 H31 N2 O7 P | SMILES: | O=C(O)C(CCc1ccccc1)CP(=O)(O)C(NC(=O)C(NC(=O)C)Cc2ccc(O)cc2)C | InChi: | InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1 | Synonyms: | Acetyl-Tyr-Ala-Y(PO2CH2)-homoPhe-OH | Definition date: | 2014-12-17 | Last modified: | 2020-06-17 | Release date: | 2016-01-20 | Identifier: | (2S)-2-{[(S)-{(1R)-1-[(N-acetyl-L-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid |
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| TY0 | Name: | (3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one | Formula: | C14 H21 N O3 | SMILES: | O=C(CO)C(N)Cc1ccc(OC(C)(C)C)cc1 | InChi: | InChI=1S/C14H21NO3/c1-14(2,3)18-11-6-4-10(5-7-11)8-12(15)13(17)9-16/h4-7,12,16H,8-9,15H2,1-3H3/t12-/m0/s1 | Synonyms: | Z-Phe-Tyr(OBut)-COCHO | Definition date: | 2010-11-01 | Last modified: | 2020-06-17 | Identifier: | (3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one |
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