 | | 591 | | Name: | (5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one | | Formula: | C19 H19 N7 O | | SMILES: | O=C4N(C(=NC4(c1cn(nc1)CC)c3cccc(c2cncnc2)c3)N)C | | InChi: | InChI=1S/C19H19N7O/c1-3-26-11-16(10-23-26)19(17(27)25(2)18(20)24-19)15-6-4-5-13(7-15)14-8-21-12-22-9-14/h4-12H,3H2,1-2H3,(H2,20,24)/t19-/m0/s1 | | Synonyms: | WAY-256591 | | Definition date: | 2011-06-03 | | Last modified: | 2021-03-01 | | Identifier: | (5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one |
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 | | ERO | | Name: | 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C7 H6 N2 O4 | | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)/C=C | | InChi: | InChI=1S/C7H6N2O4/c1-2-3-4(6(11)12)8-7(13)9-5(3)10/h2H,1H2,(H,11,12)(H2,8,9,10,13) | | Synonyms: | 5-vinyl-orotic acid | | Definition date: | 2012-11-19 | | Last modified: | 2021-03-01 | | Release date: | 2013-11-20 | | Identifier: | 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | ERT | | Name: | METHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-4-{[2,3,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H-TETRACENE-1-CARBOXYLATE | | Formula: | C31 H37 N O11 | | SMILES: | O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)C(C(=O)OC)C(O)(CC5OC4OC(C(O)C(N(C)C)C4)C)CC | | InChi: | InChI=1S/C31H37NO11/c1-7-31(39)12-17(43-18-11-15(32(3)4)25(33)13(2)42-18)20-21(24(31)30(38)41-6)29(37)22-23(28(20)36)27(35)19-14(26(22)34)9-8-10-16(19)40-5/h8-10,13,15,17-18,24-25,33,36-37,39H,7,11-12H2,1-6H3/t13-,15-,17-,18-,24-,25+,31+/m0/s1 | | Synonyms: | 4-METHOXY-E-RHODOMYCIN T | | Definition date: | 2004-07-06 | | Last modified: | 2021-03-01 | | Identifier: | methyl (1R,2R,4S)-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate |
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 | | 5A0 | | Name: | 6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine | | Formula: | C17 H21 F2 N5 S2 | | SMILES: | c12ncnc(c1cc(CC(F)F)s2)N3CCN(CC3)C4=NCC(S4)(C)C | | InChi: | InChI=1S/C17H21F2N5S2/c1-17(2)9-20-16(26-17)24-5-3-23(4-6-24)14-12-7-11(8-13(18)19)25-15(12)22-10-21-14/h7,10,13H,3-6,8-9H2,1-2H3 | | Synonyms: | MI-859 | | Definition date: | 2015-08-28 | | Last modified: | 2021-03-01 | | Release date: | 2015-09-09 | | Identifier: | 6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine |
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 | | 5A1 | | Name: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine | | Formula: | C17 H18 F5 N5 S2 | | SMILES: | c14c(c(ncn1)N2CCN(CC2)C=3SC(C)(C)CN=3)cc(C(C(F)(F)F)(F)F)s4 | | InChi: | InChI=1S/C17H18F5N5S2/c1-15(2)8-23-14(29-15)27-5-3-26(4-6-27)12-10-7-11(16(18,19)17(20,21)22)28-13(10)25-9-24-12/h7,9H,3-6,8H2,1-2H3 | | Synonyms: | MI-273 | | Definition date: | 2015-08-28 | | Last modified: | 2021-03-01 | | Release date: | 2015-09-09 | | Identifier: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine |
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 | | 5AA | | Name: | N6-DIMETHYL-3'-AMINO-ADENOSINE-5'-MONOPHOSPHATE | | Formula: | C12 H19 N6 O6 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c2ncnc1N(C)C)C(O)C3N | | InChi: | InChI=1S/C12H19N6O6P/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(19)7(13)6(24-12)3-23-25(20,21)22/h4-7,9,12,19H,3,13H2,1-2H3,(H2,20,21,22)/t6-,7-,9-,12-/m1/s1 | | Synonyms: | PUROMYCIN AMINONUCLEOSIDE-5'-MONOPHOSPHATE | | Definition date: | 2004-12-29 | | Last modified: | 2021-03-01 | | Identifier: | 3'-amino-3'-deoxy-N,N-dimethyladenosine 5'-(dihydrogen phosphate) |
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 | | 5AE | | Name: | 4-amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one | | Formula: | C8 H12 N4 O5 | | SMILES: | O=C1N=C(N=CN1C2OC(C(O)C2O)CO)N | | InChi: | InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1 | | Synonyms: | 5-azacytidine | | Definition date: | 2014-05-19 | | Last modified: | 2021-03-01 | | Release date: | 2014-06-25 | | Identifier: | 4-amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one |
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 | | 5AL | | Name: | 5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine | | Formula: | C13 H19 N6 O8 P | | SMILES: | O=P(OC(=O)C(N)C)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C13H19N6O8P/c1-5(14)13(22)27-28(23,24)25-2-6-8(20)9(21)12(26-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21H,2,14H2,1H3,(H,23,24)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1 | | Synonyms: | Alanyl Adenylate | | Definition date: | 2009-06-25 | | Last modified: | 2021-03-01 | | Identifier: | 5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine |
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 | | 5AZ | | Name: | 6-amino-1,3,5-triazin-2(1H)-one | | Formula: | C3 H4 N4 O | | SMILES: | NC1=NC=NC(=O)N1 | | InChi: | InChI=1S/C3H4N4O/c4-2-5-1-6-3(8)7-2/h1H,(H3,4,5,6,7,8) | | Synonyms: | 5-Azacytosine | | Definition date: | 2010-01-08 | | Last modified: | 2021-03-01 | | Identifier: | 6-azanyl-1H-1,3,5-triazin-2-one |
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 | | ETS | | Name: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE | | Formula: | C10 H16 N2 O4 S3 | | SMILES: | O=S(=O)(c1sc2c(c1)C(NCC)CC(S2(=O)=O)C)N | | InChi: | InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1 | | Synonyms: | Dorzolamide | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (4S,6S)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide |
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 | | 5BQ | | Name: | 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione | | Formula: | C14 H13 Cl O5 S | | SMILES: | O=C1C(C(CCC1)=O)C(=O)c2ccc(cc2Cl)S(=O)(C)=O | | InChi: | InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3 | | Synonyms: | Sulcotrione | | Definition date: | 2015-09-03 | | Last modified: | 2021-03-01 | | Release date: | 2016-09-07 | | Identifier: | 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione |
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 | | 5DK | | Name: | (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine | | Formula: | C14 H22 N5 O7 P | | SMILES: | c1(C)ncc(c(c1O)/C=N/C(CCCN/C(N)=N)C(O)=O)COP(O)(O)=O | | InChi: | InChI=1S/C14H22N5O7P/c1-8-12(20)10(9(5-18-8)7-26-27(23,24)25)6-19-11(13(21)22)3-2-4-17-14(15)16/h5-6,11,20H,2-4,7H2,1H3,(H,21,22)(H4,15,16,17)(H2,23,24,25)/b19-6+/t11-/m1/s1 | | Synonyms: | PLP-DArg | | Definition date: | 2015-09-09 | | Last modified: | 2021-03-01 | | Release date: | 2015-11-25 | | Identifier: | (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine |
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 | | 5DL | | Name: | [(2S)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid | | Formula: | C5 H10 N3 O4 P | | SMILES: | n1cncn1CC(CP(O)(O)=O)O | | InChi: | InChI=1S/C5H10N3O4P/c9-5(2-13(10,11)12)1-8-4-6-3-7-8/h3-5,9H,1-2H2,(H2,10,11,12)/t5-/m0/s1 | | Synonyms: | (S)-C348 | | Definition date: | 2015-09-10 | | Last modified: | 2021-03-01 | | Release date: | 2016-09-28 | | Identifier: | [(2S)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid |
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 | | EW4 | | Name: | [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone | | Formula: | C29 H39 N7 O | | SMILES: | c1(ccn(c1)CC3CCN(C2CCCCC=C2)CC3)C(=O)N6CC(n4cnc5c4cc(C)nc5N)(C6)C | | InChi: | InChI=1S/C29H39N7O/c1-21-15-25-26(27(30)32-21)31-20-36(25)29(2)18-35(19-29)28(37)23-11-12-33(17-23)16-22-9-13-34(14-10-22)24-7-5-3-4-6-8-24/h5,7,11-12,15,17,20,22,24H,3-4,6,8-10,13-14,16,18-19H2,1-2H3,(H2,30,32)/t24-/m0/s1 | | Synonyms: | MTF9975 | | Definition date: | 2018-02-05 | | Last modified: | 2021-03-01 | | Release date: | 2018-03-14 | | Identifier: | [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone |
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 | | EWH | | Name: | ~{N}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide | | Formula: | C24 H26 Cl N7 O | | SMILES: | CN1CCN(CC1)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4NC(=O)C=C)n3)cc2 | | InChi: | InChI=1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30) | | Synonyms: | SM1-71 | | Definition date: | 2018-04-27 | | Last modified: | 2021-03-01 | | Release date: | 2019-02-27 | | Identifier: | ~{N}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide |
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 | | 5H1 | | Name: | 1H-indol-5-ol | | Formula: | C8 H7 N O | | SMILES: | Oc1cc2c(cc1)ncc2 | | InChi: | InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H | | Synonyms: | 5-hydroxyindole | | Definition date: | 2009-01-20 | | Last modified: | 2021-03-01 | | Identifier: | 1H-indol-5-ol |
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 | | F0E | | Name: | cyclooctyl ~{N}-[3-[[4-[5-[[(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]carbonylamino]-1~{H}-indazol-3-yl]pyridin-2-yl]carbonylamino]propyl]carbamate | | Formula: | C46 H55 N11 O5 | | SMILES: | O=C(NCCCNC(=O)c1cc(ccn1)c2n[nH]c3ccc(NC(=O)[CH]4CCN(C4)CC(=O)N5CCN(CC5)c6ccc(cc6)c7ncccn7)cc23)OC8CCCCCCC8 | | InChi: | InChI=1S/C46H55N11O5/c58-41(57-26-24-56(25-27-57)36-13-10-32(11-14-36)43-48-18-6-19-49-43)31-55-23-17-34(30-55)44(59)52-35-12-15-39-38(29-35)42(54-53-39)33-16-22-47-40(28-33)45(60)50-20-7-21-51-46(61)62-37-8-4-2-1-3-5-9-37/h6,10-16,18-19,22,28-29,34,37H,1-5,7-9,17,20-21,23-27,30-31H2,(H,50,60)(H,51,61)(H,52,59)(H,53,54)/t34-/m1/s1 | | Synonyms: | HYDROXYETHYLAMINE BACE INHIBITOR | | Definition date: | 2018-05-16 | | Last modified: | 2021-03-01 | | Release date: | 2019-01-02 | | Identifier: | cyclooctyl ~{N}-[3-[[4-[5-[[(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]carbonylamino]-1~{H}-indazol-3-yl]pyridin-2-yl]carbonylamino]propyl]carbamate |
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 | | 5HY | | Name: | [(4R)-2,5-dioxoimidazolidin-4-yl]acetic acid | | Formula: | C5 H6 N2 O4 | | SMILES: | O=C1NC(=O)NC1CC(=O)O | | InChi: | InChI=1S/C5H6N2O4/c8-3(9)1-2-4(10)7-5(11)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)/t2-/m1/s1 | | Synonyms: | Hydantoin-5-acetic acid | | Definition date: | 2011-03-21 | | Last modified: | 2021-03-01 | | Identifier: | [(4R)-2,5-dioxoimidazolidin-4-yl]acetic acid |
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 | | F17 | | Name: | N-{[4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)PHENYL]ACETYL}-L-PHENYLALANYL-4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)-L-PHENYLALANINAMIDE | | Formula: | C32 H29 N5 O9 S2 | | SMILES: | O=C5C=C(c1ccc(cc1)CC(=O)NC(C(=O)NC(C(=O)N)Cc3ccc(C2=CC(=O)NS2(=O)=O)cc3)Cc4ccccc4)S(=O)(=O)N5 | | InChi: | InChI=1S/C32H29N5O9S2/c33-31(41)24(14-20-6-10-22(11-7-20)26-17-29(39)36-47(26,43)44)35-32(42)25(15-19-4-2-1-3-5-19)34-28(38)16-21-8-12-23(13-9-21)27-18-30(40)37-48(27,45)46/h1-13,17-18,24-25H,14-16H2,(H2,33,41)(H,34,38)(H,35,42)(H,36,39)(H,37,40)/t24-,25-/m0/s1 | | Synonyms: | ISOTHIAZOLIDANONE ANALOGUE | | Definition date: | 2006-05-04 | | Last modified: | 2021-03-01 | | Identifier: | N-{[4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)phenyl]acetyl}-L-phenylalanyl-4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)-L-phenylalaninamide |
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 | | F18 | | Name: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL | | Formula: | C9 H10 N6 O | | SMILES: | N(=Nc1c(nnc1N)N)c2ccc(O)cc2 | | InChi: | InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)/b13-12- | | Synonyms: | CAN508 | | Definition date: | 2006-05-02 | | Last modified: | 2021-03-01 | | Identifier: | 4-[(Z)-(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol |
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 | | F1H | | Name: | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | | Formula: | C16 H24 N2 O S | | SMILES: | O=C(NC2CCN(Cc1ccccc1)CC2)CCCS | | InChi: | InChI=1S/C16H24N2OS/c19-16(7-4-12-20)17-15-8-10-18(11-9-15)13-14-5-2-1-3-6-14/h1-3,5-6,15,20H,4,7-13H2,(H,17,19) | | Synonyms: | N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide | | Definition date: | 2008-03-10 | | Last modified: | 2021-03-01 | | Identifier: | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide |
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 | | F1K | | Name: | (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide | | Formula: | C15 H22 F N3 O S | | SMILES: | Fc1ccc(cc1)CN2CC(NCC2)C(=O)NCCCS | | InChi: | InChI=1S/C15H22FN3OS/c16-13-4-2-12(3-5-13)10-19-8-7-17-14(11-19)15(20)18-6-1-9-21/h2-5,14,17,21H,1,6-11H2,(H,18,20)/t14-/m0/s1 | | Synonyms: | 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(3-mercapto-propyl)-amide | | Definition date: | 2008-03-25 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide |
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 | | F20 | | Name: | N-BENZOYL-L-PHENYLALANYL-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-L-PHENYLALANINAMIDE | | Formula: | C28 H28 N4 O6 S | | SMILES: | O=C4NS(=O)(=O)C(c1ccc(cc1)CC(C(=O)N)NC(=O)C(NC(=O)c2ccccc2)Cc3ccccc3)C4 | | InChi: | InChI=1S/C28H28N4O6S/c29-26(34)22(15-19-11-13-20(14-12-19)24-17-25(33)32-39(24,37)38)30-28(36)23(16-18-7-3-1-4-8-18)31-27(35)21-9-5-2-6-10-21/h1-14,22-24H,15-17H2,(H2,29,34)(H,30,36)(H,31,35)(H,32,33)/t22-,23-,24-/m0/s1 | | Synonyms: | ISOTHIAZOLIDINONE ANALOG | | Definition date: | 2006-05-04 | | Last modified: | 2021-03-01 | | Identifier: | N-(phenylcarbonyl)-L-phenylalanyl-4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-L-phenylalaninamide |
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 | | F29 | | Name: | 1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE | | Formula: | C21 H17 N7 | | SMILES: | n1nc5c(cc1c3c4ccccn4nc3c2ccccc2)c(nn5CC=C)N | | InChi: | InChI=1S/C21H17N7/c1-2-11-28-21-15(20(22)26-28)13-16(23-24-21)18-17-10-6-7-12-27(17)25-19(18)14-8-4-3-5-9-14/h2-10,12-13H,1,11H2,(H2,22,26) | | Synonyms: | FR296110 | | Definition date: | 2005-03-11 | | Last modified: | 2021-03-01 | | Identifier: | 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-en-1-yl-1H-pyrazolo[3,4-c]pyridazin-3-amine |
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 | | F2N | | Name: | [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[7,8-DIMETHYL-2,4-DIOXO-5-(3-PHENYLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[G]PTERIDIN-10(2H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE | | Formula: | C36 H43 N9 O16 P2 | | SMILES: | O=C(N2c1cc(c(cc1N(C3=C2C(=O)NC(=O)N3)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C)CCc7ccccc7 | | InChi: | InChI=1S/C36H43N9O16P2/c1-17-10-20-21(11-18(17)2)45(25(48)9-8-19-6-4-3-5-7-19)27-33(41-36(53)42-34(27)52)43(20)12-22(46)28(49)23(47)13-58-62(54,55)61-63(56,57)59-14-24-29(50)30(51)35(60-24)44-16-40-26-31(37)38-15-39-32(26)44/h3-7,10-11,15-16,22-24,28-30,35,46-47,49-51H,8-9,12-14H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H2,41,42,52,53)/t22-,23+,24+,28-,29+,30+,35+/m0/s1 | | Synonyms: | 1-HYDRO-5-(3-PHENYLPROPANOYL)-FLAVIN-ADENINE DINUCLEOTIDE | | Definition date: | 2007-06-07 | | Last modified: | 2021-03-01 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-(3-phenylpropanoyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
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