 | | 7AY | | Name: | 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile | | Formula: | C24 H18 Cl N3 O4 | | SMILES: | c2(c1c(cc(cc1)C#N)c(C)c(c2)Oc4ccccc4OCCN3C=CC(=O)NC3=O)Cl | | InChi: | InChI=1S/C24H18ClN3O4/c1-15-18-12-16(14-26)6-7-17(18)19(25)13-22(15)32-21-5-3-2-4-20(21)31-11-10-28-9-8-23(29)27-24(28)30/h2-9,12-13H,10-11H2,1H3,(H,27,29,30) | | Synonyms: | JLJ651 | | Definition date: | 2016-09-26 | | Last modified: | 2020-06-17 | | Release date: | 2017-01-11 | | Identifier: | 5-chloro-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile |
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 | | BC3 | | Name: | 2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | | Formula: | C12 H11 N5 O | | SMILES: | O=C1c2c(N=C(N1)N)c(cn2)Cc3cccnc3 | | InChi: | InChI=1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18) | | Synonyms: | peldesine,BCX-34 | | Definition date: | 2008-06-25 | | Last modified: | 2020-06-17 | | Identifier: | 2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
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 | | BC4 | | Name: | (3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one | | Formula: | C11 H16 N2 O S | | SMILES: | O=C1NC2C(SCC2N1)CCCCC#C | | InChi: | InChI=1S/C11H16N2OS/c1-2-3-4-5-6-9-10-8(7-15-9)12-11(14)13-10/h1,8-10H,3-7H2,(H2,12,13,14)/t8-,9-,10-/m0/s1 | | Synonyms: | biotin acetylene | | Definition date: | 2013-10-17 | | Last modified: | 2020-06-17 | | Release date: | 2013-10-30 | | Identifier: | (3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one |
|
 | | BCG | | Name: | 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID | | Formula: | C16 H19 N O4 | | SMILES: | O=C(O)C3C1N(C)C(CC1)CC3OC(=O)c2ccccc2 | | InChi: | InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1 | | Synonyms: | BENZOYLECGONINE | | Definition date: | 2003-09-15 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2R,3S,5S)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylic acid |
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 | | BCZ | | Name: | 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID | | Formula: | C15 H28 N4 O4 | | SMILES: | O=C(O)C1CC(NC(=[N@H])N)C(C(NC(=O)C)C(CC)CC)C1O | | InChi: | InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1 | | Synonyms: | BCX-1812 | | Definition date: | 2002-03-18 | | Last modified: | 2020-06-17 | | Identifier: | (1S,2S,3R,4R)-3-[(1S)-1-(acetylamino)-2-ethylbutyl]-4-carbamimidamido-2-hydroxycyclopentanecarboxylic acid |
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 | | 7D3 | | Name: | [(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl trihydrogen diphosphate | | Formula: | C10 H15 N5 O9 P2 | | SMILES: | c1nc(c2c(n1)n(cn2)C3C(C(O3)COP(OP(O)(=O)O)(O)=O)CO)N | | InChi: | InChI=1S/C10H15N5O9P2/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(23-10)2-22-26(20,21)24-25(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6-,10-/m1/s1 | | Synonyms: | oxetanocin A diphosphate | | Definition date: | 2016-10-07 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-23 | | Identifier: | [(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl trihydrogen diphosphate |
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 | | 7D7 | | Name: | [(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol | | Formula: | C10 H13 N5 O3 | | SMILES: | O1C(C(C1CO)CO)n2c3c(nc2)c(N)ncn3 | | InChi: | InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(2-17)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6-,10-/m1/s1 | | Synonyms: | OXETANOCIN | | Definition date: | 2016-10-07 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-16 | | Identifier: | [(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol |
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 | | BDL | | Name: | N-(biphenyl-4-ylsulfonyl)-D-leucine | | Formula: | C18 H21 N O4 S | | SMILES: | O=C(O)C(NS(=O)(=O)c2ccc(c1ccccc1)cc2)CC(C)C | | InChi: | InChI=1S/C18H21NO4S/c1-13(2)12-17(18(20)21)19-24(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)/t17-/m1/s1 | | Synonyms: | (R)-2-(biphenyl-4-ylsulfonamido)-4-methylpentanoic acid | | Definition date: | 2008-09-18 | | Last modified: | 2020-06-17 | | Identifier: | N-(biphenyl-4-ylsulfonyl)-D-leucine |
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 | | 7DF | | Name: | Dihydropentalenolactone F | | Formula: | C15 H20 O5 | | SMILES: | C1C4C3(CC1(C)C)C2(OC2)C(=O)OCC3C(C(O)=O)C4 | | InChi: | InChI=1S/C15H20O5/c1-13(2)4-8-3-9(11(16)17)10-5-19-12(18)15(7-20-15)14(8,10)6-13/h8-10H,3-7H2,1-2H3,(H,16,17)/t8-,9-,10+,14-,15-/m1/s1 | | Synonyms: | (2R,4a'R,7a'R,9'R,9a'S)-6',6'-dimethyl-3'-oxooctahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic
acid | | Definition date: | 2016-08-04 | | Last modified: | 2020-06-17 | | Release date: | 2016-09-14 | | Identifier: | (2R,4a'R,7a'R,9'R,9a'S)-6',6'-dimethyl-3'-oxooctahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid |
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 | | 7DK | | Name: | METHYL
((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]N
ONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | | Formula: | C28 H28 Cl N9 O4 | | SMILES: | [C@H](=CC(=O)NC2c3nc(c1ccc(NC(OC)=O)cc1NC(CCCCC2)=O)cn3)c4cc(Cl)ccc4n5nnnc5 | | InChi: | InChI=1S/C28H28ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h7-16,21H,2-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b12-7+/t21-/m0/s1 | | Synonyms: | methyl
[(8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azen
o)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Definition date: | 2016-10-10 | | Last modified: | 2020-06-17 | | Release date: | 2017-03-01 | | Identifier: | methyl [(8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate |
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 | | BDT | | Name: | 5-beta-DIHYDROTESTOSTERONE | | Formula: | C19 H30 O2 | | SMILES: | O=C2CC1CCC3C(C1(C)CC2)CCC4(C3CCC4O)C | | InChi: | InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1 | | Synonyms: | (5beta,8alpha,17beta)-17-hydroxyandrostan-3-one | | Definition date: | 2008-07-15 | | Last modified: | 2020-06-17 | | Identifier: | (5beta,8alpha,17beta)-17-hydroxyandrostan-3-one |
|
 | | 7DS | | Name: | METHYL
((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,
7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE | | Formula: | C28 H26 Cl N9 O4 | | SMILES: | [C@H](=CC(=O)NC2c3nc(c1ccc(NC(OC)=O)cc1NC(CCC=CC2)=O)cn3)c4cc(Cl)ccc4n5nnnc5 | | InChi: | InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/m0/s1 | | Synonyms: | methyl
[(5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno
)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Definition date: | 2016-10-11 | | Last modified: | 2020-06-17 | | Release date: | 2017-03-01 | | Identifier: | methyl [(5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate |
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 | | BE3 | | Name: | N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | | Formula: | C38 H38 F2 N2 O8 | | SMILES: | Fc1cccc(c1)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4cccc(F)c4)C(=O)NC6c5ccccc5CC6O | | InChi: | InChI=1S/C38H38F2N2O8/c39-25-11-5-7-21(15-25)19-49-35(37(47)41-31-27-13-3-1-9-23(27)17-29(31)43)33(45)34(46)36(50-20-22-8-6-12-26(40)16-22)38(48)42-32-28-14-4-2-10-24(28)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1 | | Synonyms: | INHIBITOR BEA403 | | Definition date: | 2004-08-10 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5R)-2,5-bis[(3-fluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
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 | | BE4 | | Name: | (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN
EDIAMIDE | | Formula: | C38 H36 F4 N2 O8 | | SMILES: | Fc1ccc(c(F)c1)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4ccc(F)cc4F)C(=O)NC6c5ccccc5CC6O | | InChi: | InChI=1S/C38H36F4N2O8/c39-23-11-9-21(27(41)15-23)17-51-35(37(49)43-31-25-7-3-1-5-19(25)13-29(31)45)33(47)34(48)36(52-18-22-10-12-24(40)16-28(22)42)38(50)44-32-26-8-4-2-6-20(26)14-30(32)46/h1-12,15-16,29-36,45-48H,13-14,17-18H2,(H,43,49)(H,44,50)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1 | | Synonyms: | INHIBITOR BEA403 | | Definition date: | 2004-08-10 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5R)-2,5-bis[(2,4-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
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 | | 7DZ | | Name: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one | | Formula: | C19 H23 F2 N5 O2 | | SMILES: | CN3c1c(nc(nc1)Nc2cc(c(c(c2)F)O)F)N(CCC(C)C)C(C3=O)C | | InChi: | InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)/t11-/m0/s1 | | Synonyms: | BI-D1870 | | Definition date: | 2016-10-13 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-02 | | Identifier: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one |
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 | | BE5 | | Name: | (2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN
EDIAMIDE | | Formula: | C38 H36 F4 N2 O8 | | SMILES: | Fc1cccc(c1F)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4cccc(F)c4F)C(=O)NC6c5ccccc5CC6O | | InChi: | InChI=1S/C38H36F4N2O8/c39-25-13-5-9-21(29(25)41)17-51-35(37(49)43-31-23-11-3-1-7-19(23)15-27(31)45)33(47)34(48)36(52-18-22-10-6-14-26(40)30(22)42)38(50)44-32-24-12-4-2-8-20(24)16-28(32)46/h1-14,27-28,31-36,45-48H,15-18H2,(H,43,49)(H,44,50)/t27-,28-,31+,32+,33-,34-,35-,36-/m1/s1 | | Synonyms: | HIV-1 INHIBITOR | | Definition date: | 2004-08-10 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5R)-2,5-bis[(2,3-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
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 | | 7E0 | | Name: | trichothecene | | Formula: | C15 H22 O2 | | SMILES: | CC1=CC2OC3CCC(C2(CC1)C)(C34CO4)C | | InChi: | InChI=1S/C15H22O2/c1-10-4-6-13(2)12(8-10)17-11-5-7-14(13,3)15(11)9-16-15/h8,11-12H,4-7,9H2,1-3H3/t11-,12-,13+,14-,15+/m1/s1 | | Synonyms: | (11beta)-12,13-epoxytrichothec-9-ene | | Definition date: | 2016-10-13 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-02 | | Identifier: | (11beta)-12,13-epoxytrichothec-9-ene |
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 | | BEB | | Name: | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | | Formula: | C38 H40 N2 O8 | | SMILES: | O=C(NC2c1ccccc1CC2O)C(OCc3ccccc3)C(O)C(O)C(OCc4ccccc4)C(=O)NC6c5ccccc5CC6O | | InChi: | InChI=1S/C38H40N2O8/c41-29-19-25-15-7-9-17-27(25)31(29)39-37(45)35(47-21-23-11-3-1-4-12-23)33(43)34(44)36(48-22-24-13-5-2-6-14-24)38(46)40-32-28-18-10-8-16-26(28)20-30(32)42/h1-18,29-36,41-44H,19-22H2,(H,39,45)(H,40,46)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1 | | Synonyms: | INHIBITOR BEA369 | | Definition date: | 2000-01-31 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
|
 | | BEC | | Name: | [5-(2-HYDROXY-INDAN-1-YLCARBAMOYL)-3,4-DIHYDROXY-2,5-[DIBENZYL-OXY]-PENTANOYL]-VALINYL-AMIDO-METHANE | | Formula: | C35 H43 N3 O8 | | SMILES: | O=C(NC)C(NC(=O)C(OCc1ccccc1)C(O)C(O)C(OCc2ccccc2)C(=O)NC4c3ccccc3CC4O)C(C)C | | InChi: | InChI=1S/C35H43N3O8/c1-21(2)27(33(42)36-3)37-34(43)31(45-19-22-12-6-4-7-13-22)29(40)30(41)32(46-20-23-14-8-5-9-15-23)35(44)38-28-25-17-11-10-16-24(25)18-26(28)39/h4-17,21,26-32,39-41H,18-20H2,1-3H3,(H,36,42)(H,37,43)(H,38,44)/t26-,27+,28+,29-,30-,31-,32-/m1/s1 | | Synonyms: | INHIBITOR BEA388 | | Definition date: | 2000-01-31 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(1S)-2-methyl-1-(methylcarbamoyl)propyl]hexanediamide (non-preferred name) |
|
 | | 7E8 | | Name: | (2R)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE | | Formula: | C17 H32 O4 | | SMILES: | O=C(OCC(O)CO)CCCCCC=C/CCCCCC | | InChi: | InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h7-8,16,18-19H,2-6,9-15H2,1H3/b8-7-/t16-/m1/s1 | | Synonyms: | 7.7 MAG | | Definition date: | 2011-03-31 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate |
|
 | | BED | | Name: | N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | | Formula: | C38 H38 F2 N2 O8 | | SMILES: | Fc1ccccc1COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4ccccc4F)C(=O)NC6c5ccccc5CC6O | | InChi: | InChI=1S/C38H38F2N2O8/c39-27-15-7-3-11-23(27)19-49-35(37(47)41-31-25-13-5-1-9-21(25)17-29(31)43)33(45)34(46)36(50-20-24-12-4-8-16-28(24)40)38(48)42-32-26-14-6-2-10-22(26)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1 | | Synonyms: | INHIBITOR BEA403 | | Definition date: | 2000-01-31 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5R)-2,5-bis[(2-fluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
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 | | BEH | | Name: | 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2-HYDROXY-INDAN-1-YL)-AMIDE | | Formula: | C36 H38 N2 O7 | | SMILES: | O=C(NCc1ccccc1)C(OCc2ccccc2)C(O)C(O)C(OCc3ccccc3)C(=O)NC5c4ccccc4CC5O | | InChi: | InChI=1S/C36H38N2O7/c39-29-20-27-18-10-11-19-28(27)30(29)38-36(43)34(45-23-26-16-8-3-9-17-26)32(41)31(40)33(44-22-25-14-6-2-7-15-25)35(42)37-21-24-12-4-1-5-13-24/h1-19,29-34,39-41H,20-23H2,(H,37,42)(H,38,43)/t29-,30+,31-,32-,33-,34-/m1/s1 | | Synonyms: | INHIBITOR BEA435 | | Definition date: | 1999-10-05 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5R)-N-benzyl-2,5-bis(benzyloxy)-3,4-dihydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
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 | | BEJ | | Name: | N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE] | | Formula: | C42 H52 N6 O8 | | SMILES: | O=C(NC)C(NC(=O)C(OCc2ccc(c1cccnc1)cc2)C(O)C(O)C(OCc4ccc(c3cccnc3)cc4)C(=O)NC(C(=O)NC)C(C)C)C(C)C | | InChi: | InChI=1S/C42H52N6O8/c1-25(2)33(39(51)43-5)47-41(53)37(55-23-27-11-15-29(16-12-27)31-9-7-19-45-21-31)35(49)36(50)38(42(54)48-34(26(3)4)40(52)44-6)56-24-28-13-17-30(18-14-28)32-10-8-20-46-22-32/h7-22,25-26,33-38,49-50H,23-24H2,1-6H3,(H,43,51)(H,44,52)(H,47,53)(H,48,54)/t33-,34-,35+,36+,37+,38+/m0/s1 | | Synonyms: | INHIBITOR BEA428 | | Definition date: | 2000-01-31 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis[(4-pyridin-3-ylbenzyl)oxy]hexanediamide (non-preferred name) |
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 | | BEP | | Name: | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | | Formula: | C24 H34 N2 O | | SMILES: | O(CC(C)C)CC(N1CCCC1)CN(c2ccccc2)Cc3ccccc3 | | InChi: | InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3/t24-/m0/s1 | | Synonyms: | BEPRIDIL | | Definition date: | 2000-01-24 | | Last modified: | 2020-06-17 | | Identifier: | N-benzyl-N-[(2S)-3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline |
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 | | BES | | Name: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID | | Formula: | C16 H24 N2 O4 | | SMILES: | O=C(O)C(NC(=O)C(O)C(N)Cc1ccccc1)CC(C)C | | InChi: | InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1 | | Synonyms: | BESTATIN | | Definition date: | 2000-12-27 | | Last modified: | 2020-06-17 | | Identifier: | N-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine |
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