 | | TP7 | | Name: | Coenzyme B | | Formula: | C11 H22 N O7 P S | | SMILES: | C[CH](O[P](O)(O)=O)[CH](NC(=O)CCCCCCS)C(O)=O | | InChi: | InChI=1S/C11H22NO7PS/c1-8(19-20(16,17)18)10(11(14)15)12-9(13)6-4-2-3-5-7-21/h8,10,21H,2-7H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t8-,10+/m1/s1 | | Synonyms: | 7-MERCAPTOHEPTANOYLTHREONINEPHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2S,3R)-3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid |
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 | | SH0 | | Name: | 3,3',3'',3'''-[(1R,2S,3S,4S,7S,8S,11S,12S,13S,16S,19S)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-1,2,3,4,7,8,11,12,13,16,19,20,22,24-tetradecahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate | | Formula: | C42 H52 N4 O16 | | SMILES: | O=C(O)CCC1=C(C2=NC1CC5N=C(C=C4NC(=CC3NC(=C2)C(C)(C3CCC(=O)O)CC(=O)O)C(CC(=O)O)(C)C4CCC(=O)O)C(CC(=O)O)C5CCC(=O)O)CC(=O)O | | InChi: | InChI=1S/C42H52N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,19,21,23-26,30,45-46H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b29-14-,31-15-,32-16-/t19-,21-,23+,24+,25+,26-,30+,41-,42-/m0/s1 | | Synonyms: | Sirohydrochlorin | | Definition date: | 2014-07-09 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-16 | | Identifier: | 3,3',3'',3'''-[(1R,2S,3S,7S,8S,11S,12S,13S,19S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-1,2,3,7,8,11,12,13,19,20-decahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid |
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 | | WJZ | | Name: | TIOPRONIN | | Formula: | C5 H9 N O3 S | | SMILES: | C[CH](S)C(=O)NCC(O)=O | | InChi: | InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)/t3-/m0/s1 | | Synonyms: | THIOLA | | Definition date: | 2015-06-25 | | Last modified: | 2021-03-01 | | Release date: | 2015-07-07 | | Identifier: | 2-[[(2S)-2-sulfanylpropanoyl]amino]ethanoic acid |
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 | | WZC | | Name: | (13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL SULFAMATE | | Formula: | C19 H27 N O5 S | | SMILES: | O=S(=O)(OC4CCC3C2C(c1cc(OC)c(O)cc1CC2)CCC34C)N | | InChi: | InChI=1S/C19H27NO5S/c1-19-8-7-12-13(15(19)5-6-18(19)25-26(20,22)23)4-3-11-9-16(21)17(24-2)10-14(11)12/h9-10,12-13,15,18,21H,3-8H2,1-2H3,(H2,20,22,23)/t12-,13+,15-,18-,19-/m0/s1 | | Synonyms: | 2-METHOXYESTRADIOL 17-O-SULFAMATE | | Definition date: | 2009-11-23 | | Last modified: | 2021-03-01 | | Identifier: | (13alpha,14beta,17alpha)-3-hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl sulfamate |
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 | | QVV | | Name: | benzyl [2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate | | Formula: | C23 H25 N9 O5 | | SMILES: | CC(C)(NC(OCc1ccccc1)=O)C2=NC(=C(C(N2)=O)O)C(NCCn4c3ncnc(c3nc4)N)=O | | InChi: | InChI=1S/C23H25N9O5/c1-23(2,31-22(36)37-10-13-6-4-3-5-7-13)21-29-14(16(33)20(35)30-21)19(34)25-8-9-32-12-28-15-17(24)26-11-27-18(15)32/h3-7,11-12,33H,8-10H2,1-2H3,(H,25,34)(H,31,36)(H2,24,26,27)(H,29,30,35) | | Synonyms: | SJ000988248 | | Definition date: | 2020-01-02 | | Last modified: | 2021-03-01 | | Release date: | 2021-02-10 | | Identifier: | benzyl [2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate |
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 | | W42 | | Name: | 5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-(HYDROXYETHYL OXYMETHYLENEOXYMETHYL) ISOXAZOLE | | Formula: | C21 H26 Cl2 N2 O6 | | SMILES: | Clc3c(OCCCCCc1onc(c1)COCOCCO)c(Cl)cc(C2=NCCO2)c3 | | InChi: | InChI=1S/C21H26Cl2N2O6/c22-18-10-15(21-24-5-8-30-21)11-19(23)20(18)29-7-3-1-2-4-17-12-16(25-31-17)13-28-14-27-9-6-26/h10-12,26H,1-9,13-14H2 | | Synonyms: | COMPOUND WIN VIII | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 2-{[(5-{5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}isoxazol-3-yl)methoxy]methoxy}ethanol |
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 | | VPD | | Name: | 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine | | Formula: | C19 H29 Cl N5 O9 P | | SMILES: | C(CO)(OCC1C(C(C(O1)n4c2c(c(nc(Cl)n2)NC3CCCC3)cn4)O)O)(COC)P(=O)(O)O | | InChi: | InChI=1S/C19H29ClN5O9P/c1-32-9-19(8-26,35(29,30)31)33-7-12-13(27)14(28)17(34-12)25-16-11(6-21-25)15(23-18(20)24-16)22-10-4-2-3-5-10/h6,10,12-14,17,26-28H,2-5,7-9H2,1H3,(H,22,23,24)(H2,29,30,31)/t12-,13-,14-,17-,19-/m1/s1 | | Synonyms: | OP-0105244 | | Definition date: | 2020-08-31 | | Last modified: | 2021-03-01 | | Release date: | 2020-09-23 | | Identifier: | 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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 | | TAK | | Name: | 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine | | Formula: | C24 H25 N5 O | | SMILES: | O(c4ccc(c2cn3ncc(c1ccncc1)c3nc2)cc4)CCN5CCCCC5 | | InChi: | InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2 | | Synonyms: | Dorsomorphin | | Definition date: | 2008-01-21 | | Last modified: | 2021-03-01 | | Identifier: | 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine |
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 | | TAP | | Name: | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Formula: | C21 H28 N7 O16 P3 S | | SMILES: | NC(=S)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C21H28N7O16P3S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(43-45(32,33)34)14(30)11(42-21)6-40-47(37,38)44-46(35,36)39-5-10-13(29)15(31)20(41-10)27-3-1-2-9(4-27)18(23)48/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,48)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | | Synonyms: | TATP | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamothioylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate |
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 | | ZK9 | | Name: | [3-AMINOMETHYLPHENYL-OXY-]-[BENZAMIDIN-3-YLOXY]-3,5-DIFLUORO-4-METHYL-PYRIDINE | | Formula: | C20 H20 F2 N4 O2 | | SMILES: | Fc3c(Oc1cc(C(=[NH2+])N)ccc1)nc(Oc2cccc(c2)C[NH3+])c(F)c3C | | InChi: | InChI=1S/C20H18F2N4O2/c1-11-16(21)19(27-14-6-2-4-12(8-14)10-23)26-20(17(11)22)28-15-7-3-5-13(9-15)18(24)25/h2-9H,10,23H2,1H3,(H3,24,25)/p+2 | | Synonyms: | ZK-806299 | | Definition date: | 1999-08-24 | | Last modified: | 2021-03-01 | | Identifier: | {amino[3-({6-[3-(ammoniomethyl)phenoxy]-3,5-difluoro-4-methylpyridin-2-yl}oxy)phenyl]methylidene}ammonium |
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 | | VPP | | Name: | (2S,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 | | 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: | (5S)-Penicilloic Acid | | Definition date: | 2013-07-18 | | Last modified: | 2021-03-01 | | Release date: | 2013-11-06 | | Identifier: | (2S,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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 | | SHH | | Name: | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | | Formula: | C14 H20 N2 O3 | | SMILES: | O=C(Nc1ccccc1)CCCCCCC(=O)NO | | InChi: | InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | | Synonyms: | SAHA | | Definition date: | 1999-07-30 | | Last modified: | 2021-03-01 | | Identifier: | N-hydroxy-N'-phenyloctanediamide |
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 | | ROF | | Name: | 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE | | Formula: | C17 H14 Cl2 F2 N2 O3 | | SMILES: | Clc3c(NC(=O)c2ccc(OC(F)F)c(OCC1CC1)c2)c(Cl)cnc3 | | InChi: | InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24) | | Synonyms: | ROFLUMILAST | | Definition date: | 2004-11-16 | | Last modified: | 2021-03-01 | | Identifier: | 3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide |
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 | | SHI | | Name: | (S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID | | Formula: | C6 H8 N2 O4 | | SMILES: | O=C(O)C(N)Cc1conc1O | | InChi: | InChI=1S/C6H8N2O4/c7-4(6(10)11)1-3-2-12-8-5(3)9/h2,4H,1,7H2,(H,8,9)(H,10,11)/t4-/m0/s1 | | Synonyms: | (S)-DES-ME-AMPA | | Definition date: | 2002-09-18 | | Last modified: | 2021-03-01 | | Identifier: | 3-(3-hydroxyisoxazol-4-yl)-L-alanine |
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 | | TAX | | Name: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM | | Formula: | C26 H30 N O | | SMILES: | O(c1ccc(cc1)C(c2ccccc2)=C(c3ccccc3)CC)CC[NH+](C)C | | InChi: | InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/p+1/b26-25+ | | Synonyms: | CIS FORM OF TAMOXIFEN | | Definition date: | 2000-08-14 | | Last modified: | 2021-03-01 | | Identifier: | 2-{4-[(1E)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanaminium |
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 | | B40 | | Name: | (2S)-N-methyl-1-phenylpropan-2-amine | | Formula: | C10 H15 N | | SMILES: | N(C(Cc1ccccc1)C)C | | InChi: | InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1 | | Synonyms: | Methamphetamine | | Definition date: | 2009-03-19 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-N-methyl-1-phenylpropan-2-amine |
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 | | TAY | | Name: | 2,2-dimethylpropanamide | | Formula: | C5 H11 N O | | SMILES: | CC(C)(C)C(N)=O | | InChi: | InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7) | | Synonyms: | Trimethylacetamide | | Definition date: | 2009-10-07 | | Last modified: | 2021-03-01 | | Identifier: | 2,2-dimethylpropanamide |
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 | | VPU | | Name: | [[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate | | Formula: | C18 H25 N3 O7 | | SMILES: | O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)CCCC)Nc2ccccc2 | | InChi: | InChI=1S/C18H25N3O7/c1-2-3-9-13(23)20-14-16(25)15(24)12(10-22)27-17(14)21-28-18(26)19-11-7-5-4-6-8-11/h4-8,12,14-16,22,24-25H,2-3,9-10H2,1H3,(H,19,26)(H,20,23)/b21-17-/t12-,14-,15-,16-/m1/s1 | | Synonyms: | N-Valeryl-PUGNAc | | Definition date: | 2009-04-15 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]pentanamide (non-preferred name) |
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 | | TPV | | Name: | N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE | | Formula: | C31 H33 F3 N2 O5 S | | SMILES: | FC(F)(F)c1ccc(nc1)S(=O)(=O)Nc2cccc(c2)C(C=3C(=O)OC(CCC)(CC=3O)CCc4ccccc4)CC | | InChi: | InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1 | | Synonyms: | TIPRANAVIR | | Definition date: | 1999-10-06 | | Last modified: | 2021-03-01 | | Identifier: | N-(3-{(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide |
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 | | TBH | | Name: | 5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-3-HYDROXY-3-PENTYLAMINO-PROPYL)-2-CARBOXYMETHOXY-BENZOIC ACID | | Formula: | C31 H47 N3 O9 | | SMILES: | O=C(O)c1cc(ccc1OCC(=O)O)CC(NC(O)C(NC(O)OC(C)(C)C)Cc2ccccc2)C(O)NCCCCC | | InChi: | InChI=1S/C31H47N3O9/c1-5-6-10-15-32-27(37)23(18-21-13-14-25(42-19-26(35)36)22(16-21)29(39)40)33-28(38)24(17-20-11-8-7-9-12-20)34-30(41)43-31(2,3)4/h7-9,11-14,16,23-24,27-28,30,32-34,37-38,41H,5-6,10,15,17-19H2,1-4H3,(H,35,36)(H,39,40)/t23-,24-,27+,28-,30-/m0/s1 | | Synonyms: | PNU177836 | | Definition date: | 2001-06-26 | | Last modified: | 2021-03-01 | | Identifier: | 5-[(2S,3R)-2-{[(1S,2S)-2-{[(S)-tert-butoxy(hydroxy)methyl]amino}-1-hydroxy-3-phenylpropyl]amino}-3-hydroxy-3-(pentylamino)propyl]-2-(carboxymethoxy)benzoic acid |
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 | | W54 | | Name: | 5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE | | Formula: | C18 H20 Cl2 N2 O3 | | SMILES: | Clc3c(OCCCCCc1onc(c1)C)c(Cl)cc(C2=NCCO2)c3 | | InChi: | InChI=1S/C18H20Cl2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3 | | Synonyms: | WIN54954 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 5-{5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazole |
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 | | 5YB | | Name: | N-(4-carbamimidoylbenzoyl)-beta-alanyl-L-alpha-aspartyl-L-phenylalanine | | Formula: | C24 H27 N5 O7 | | SMILES: | C(c1ccc(C(=N)N)cc1)(=O)NCCC(=O)NC(CC(=O)O)C(=O)NC(Cc2ccccc2)C(=O)O | | InChi: | InChI=1S/C24H27N5O7/c25-21(26)15-6-8-16(9-7-15)22(33)27-11-10-19(30)28-17(13-20(31)32)23(34)29-18(24(35)36)12-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H3,25,26)(H,27,33)(H,28,30)(H,29,34)(H,31,32)(H,35,36)/t17-,18-/m0/s1 | | Synonyms: | Ro-435054 | | Definition date: | 2016-01-05 | | Last modified: | 2021-03-01 | | Release date: | 2016-02-03 | | Identifier: | N-(4-carbamimidoylbenzoyl)-beta-alanyl-L-alpha-aspartyl-L-phenylalanine |
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 | | W56 | | Name: | 5-(5-(4-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE | | Formula: | C19 H24 N2 O3 | | SMILES: | N1=C(OCC1C)c3ccc(OCCCCCc2onc(c2)C)cc3 | | InChi: | InChI=1S/C19H24N2O3/c1-14-12-18(24-21-14)6-4-3-5-11-22-17-9-7-16(8-10-17)19-20-15(2)13-23-19/h7-10,12,15H,3-6,11,13H2,1-2H3/t15-/m0/s1 | | Synonyms: | COMPOUND V(S) | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 3-methyl-5-(5-{4-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}pentyl)isoxazole |
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 | | TBL | | Name: | N-[(4-methoxyphenyl)sulfonyl]-D-alanine | | Formula: | C10 H13 N O5 S | | SMILES: | O=C(O)C(NS(=O)(=O)c1ccc(OC)cc1)C | | InChi: | InChI=1S/C10H13NO5S/c1-7(10(12)13)11-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,11H,1-2H3,(H,12,13)/t7-/m1/s1 | | Synonyms: | (R)-2-(4-methoxyphenylsulfonamido)propanoic acid | | Definition date: | 2008-09-18 | | Last modified: | 2021-03-01 | | Identifier: | N-[(4-methoxyphenyl)sulfonyl]-D-alanine |
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 | | W59 | | Name: | 5-(7-(5-HYDRO-4-ETHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE | | Formula: | C22 H30 N2 O3 | | SMILES: | N1=C(OCC1CC)c3ccc(OCCCCCCCc2onc(c2)C)cc3 | | InChi: | InChI=1S/C22H30N2O3/c1-3-19-16-26-22(23-19)18-10-12-20(13-11-18)25-14-8-6-4-5-7-9-21-15-17(2)24-27-21/h10-13,15,19H,3-9,14,16H2,1-2H3/t19-/m0/s1 | | Synonyms: | COMPOUND III(S) | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 5-(7-{4-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-3-methylisoxazole |
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