 | | COX | | Name: | 4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)BENZENESULFONAMIDE | | Formula: | C16 H14 N2 O3 S | | SMILES: | O=S(=O)(N)c3ccc(c2c(onc2c1ccccc1)C)cc3 | | InChi: | InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) | | Synonyms: | VALDECOXIB | | Definition date: | 2005-09-02 | | Last modified: | 2020-06-17 | | Identifier: | 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide |
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 | | CP4 | | Name: | BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-AMINOETHYL]-ETHYLENE GLYCOL | | Formula: | C24 H24 Cl2 N4 O4 | | SMILES: | Clc1cc2cc(nc2cc1)C(=O)NCCOCCOCCNC(=O)c4cc3cc(Cl)ccc3n4 | | InChi: | InChI=1S/C24H24Cl2N4O4/c25-17-1-3-19-15(11-17)13-21(29-19)23(31)27-5-7-33-9-10-34-8-6-28-24(32)22-14-16-12-18(26)2-4-20(16)30-22/h1-4,11-14,29-30H,5-10H2,(H,27,31)(H,28,32) | | Synonyms: | CP-526423 | | Definition date: | 2000-03-22 | | Last modified: | 2020-06-17 | | Identifier: | N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(5-chloro-1H-indole-2-carboxamide) |
|
 | | CP6 | | Name: | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE | | Formula: | C12 H13 Cl N4 | | SMILES: | Clc2ccc(c1c(nc(nc1CC)N)N)cc2 | | InChi: | InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | | Synonyms: | PYRIMETHAMINE | | Definition date: | 2003-02-07 | | Last modified: | 2020-06-17 | | Identifier: | 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |
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 | | CP8 | | Name: | 2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL) ETHYL-4-(4'-ETHOXY [1,1'-BIPHENYL]-4-YL)-4-OXOBUTANOIC ACID | | Formula: | C19 H20 N2 O4 S | | SMILES: | O=C2N(Cc1ccccc1)CC(OC2)c3cc4c(cc3)N(C)S(=O)(=O)C4 | | InChi: | InChI=1S/C19H20N2O4S/c1-20-17-8-7-15(9-16(17)13-26(20,23)24)18-11-21(19(22)12-25-18)10-14-5-3-2-4-6-14/h2-9,18H,10-13H2,1H3/t18-/m1/s1 | | Synonyms: | CP-271485 | | Definition date: | 2003-12-10 | | Last modified: | 2020-06-17 | | Identifier: | (6S)-4-benzyl-6-(1-methyl-2,2-dioxido-1,3-dihydro-2,1-benzisothiazol-5-yl)morpholin-3-one |
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 | | 0JH | | Name: | tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate | | Formula: | C24 H29 N5 O3 | | SMILES: | O=C(OC(C)(C)C)C(C#N)Cc2c(c1c(ncnc1n2CCCO)N)c3ccc(cc3)C | | InChi: | InChI=1S/C24H29N5O3/c1-15-6-8-16(9-7-15)19-18(12-17(13-25)23(31)32-24(2,3)4)29(10-5-11-30)22-20(19)21(26)27-14-28-22/h6-9,14,17,30H,5,10-12H2,1-4H3,(H2,26,27,28)/t17-/m0/s1 | | Synonyms: | (E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate, bound form | | Definition date: | 2012-01-23 | | Last modified: | 2020-06-17 | | Identifier: | tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate |
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 | | 0JM | | Name: | (2S,5R,6R,7R)-6-{[(2R)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbo
xylic acid | | Formula: | C17 H20 N2 O6 S | | SMILES: | O=C(O)C(c1ccccc1)C(=O)NC3C(O)N2C(C(=O)O)C(SC23)(C)C | | InChi: | InChI=1S/C17H20N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,13-14,21H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9-,10-,11+,13-,14-/m1/s1 | | Synonyms: | Carbenicillin | | Definition date: | 2012-08-13 | | Last modified: | 2020-06-17 | | Release date: | 2012-12-14 | | Identifier: | (2S,5R,6R,7R)-6-{[(2R)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
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 | | F5P | | Name: | (2R,3R,4S,5R,6S)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl
[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen
diphosphate | | Formula: | C17 H28 N4 O15 P2 | | SMILES: | C(OP(OP(OC1C(NC(C)=O)C(C(N)C(C)O1)O)(O)=O)(O)=O)C3C(C(C(N2C(NC(=O)C=C2)=O)O3)O)O | | InChi: | InChI=1S/C17H28N4O15P2/c1-6-10(18)13(25)11(19-7(2)22)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(23)20-17(21)27/h3-4,6,8,10-16,24-26H,5,18H2,1-2H3,(H,19,22)(H,28,29)(H,30,31)(H,20,23,27)/t6-,8+,10-,11+,12+,13-,14+,15+,16+/m0/s1 | | Synonyms: | UDP-4-amino-4,6-dideoxy-L-AltNAc | | Definition date: | 2018-02-28 | | Last modified: | 2020-06-17 | | Release date: | 2018-10-17 | | Identifier: | (2R,3R,4S,5R,6S)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | F6F | | Name: | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE | | Formula: | C10 H11 F3 N O6 P | | SMILES: | FC(F)(F)Oc1ccc(cc1)C(=O)NCCOP(=O)(O)O | | InChi: | InChI=1S/C10H11F3NO6P/c11-10(12,13)20-8-3-1-7(2-4-8)9(15)14-5-6-19-21(16,17)18/h1-4H,5-6H2,(H,14,15)(H2,16,17,18) | | Synonyms: | N-(4'-TRIFLUOROMETHOXYBENZOYL)-2-AMINO-1-ETHYLPHOSPHATE, F6 | | Definition date: | 2004-08-04 | | Last modified: | 2020-06-17 | | Identifier: | 2-({[4-(trifluoromethoxy)phenyl]carbonyl}amino)ethyl dihydrogen phosphate |
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 | | 0KZ | | Name: | [(1R,2S,4S,5S)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen
phosphate | | Formula: | C12 H17 N2 O7 P | | SMILES: | O=P(O)(O)OCC32C(C(N1C=C(C(=O)NC1=O)C)CC2O)C3 | | InChi: | InChI=1S/C12H17N2O7P/c1-6-4-14(11(17)13-10(6)16)8-2-9(15)12(3-7(8)12)5-21-22(18,19)20/h4,7-9,15H,2-3,5H2,1H3,(H,13,16,17)(H2,18,19,20)/t7-,8+,9+,12+/m1/s1 | | Synonyms: | 2'-exo-methanocarba-thymidine monophosphate | | Definition date: | 2012-02-07 | | Last modified: | 2020-06-17 | | Identifier: | [(1R,2S,4S,5S)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate |
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 | | 0L1 | | Name: | hexanedioic acid | | Formula: | C6 H10 O4 | | SMILES: | O=C(O)CCCCC(=O)O | | InChi: | InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) | | Synonyms: | Adipic acid | | Definition date: | 2012-02-08 | | Last modified: | 2020-06-17 | | Identifier: | hexanedioic acid |
|
 | | 0LA | | Name: | (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid | | Formula: | C15 H12 Cl N O2 | | SMILES: | O=C(O)C(c3ccc2c1cc(Cl)ccc1nc2c3)C | | InChi: | InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m0/s1 | | Synonyms: | (S)-carprofen | | Definition date: | 2012-02-13 | | Last modified: | 2020-06-17 | | Release date: | 2013-01-18 | | Identifier: | (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid |
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 | | 0LI | | Name: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam
ide | | Formula: | C29 H27 F3 N6 O | | SMILES: | FC(F)(F)c1cc(ccc1CN2CCN(C)CC2)NC(=O)c5cc(C#Cc3cnc4cccnn34)c(cc5)C | | InChi: | InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39) | | Synonyms: | Ponatinib | | Definition date: | 2009-08-06 | | Last modified: | 2020-06-17 | | Identifier: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide |
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 | | 0LY | | Name: | N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide | | Formula: | C17 H24 Br N3 O2 | | SMILES: | Brc1ccc(cc1)NC(=O)C(=O)NC2CC(NC(C)(C)C2)(C)C | | InChi: | InChI=1S/C17H24BrN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23) | | Synonyms: | NBD-557 | | Definition date: | 2012-02-27 | | Last modified: | 2020-06-17 | | Release date: | 2013-02-22 | | Identifier: | N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide |
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 | | F83 | | Name: | (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE | | Formula: | C16 H17 Cl N2 O3 S | | SMILES: | Clc1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)CNC(C3)CO | | InChi: | InChI=1S/C16H17ClN2O3S/c17-13-2-4-14(5-3-13)19-23(21,22)16-6-1-11-7-15(10-20)18-9-12(11)8-16/h1-6,8,15,18-20H,7,9-10H2/t15-/m1/s1 | | Synonyms: | 3-HYDROXYMETHYL-7-(N-4-CHLOROPHENYLAMINOSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | | Definition date: | 2006-03-09 | | Last modified: | 2020-06-17 | | Identifier: | (3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide |
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 | | 0M6 | | Name: | N-[(2S)-1,4-dihydroxybutan-2-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide | | Formula: | C17 H27 N3 O3 S | | SMILES: | S=C(Nc1ccccc1)NC(C(=O)NC(CCO)CO)CC(C)C | | InChi: | InChI=1S/C17H27N3O3S/c1-12(2)10-15(16(23)18-14(11-22)8-9-21)20-17(24)19-13-6-4-3-5-7-13/h3-7,12,14-15,21-22H,8-11H2,1-2H3,(H,18,23)(H2,19,20,24)/t14-,15-/m0/s1 | | Synonyms: | SNJ-1715, bound form | | Definition date: | 2012-02-28 | | Last modified: | 2020-06-17 | | Identifier: | N-[(2S)-1,4-dihydroxybutan-2-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide |
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 | | F8P | | Name: | 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid | | Formula: | C19 H16 F2 N2 O4 | | SMILES: | c4(c(cc3c(Oc2ccc(C1CCC(F)(CC1)F)cc2C3=O)n4)C(O)=O)N | | InChi: | InChI=1S/C19H16F2N2O4/c20-19(21)5-3-9(4-6-19)10-1-2-14-11(7-10)15(24)12-8-13(18(25)26)16(22)23-17(12)27-14/h1-2,7-9H,3-6H2,(H2,22,23)(H,25,26) | | Synonyms: | 7-(4,4-difluorocyclohexyl) Analog of Amlexanox | | Definition date: | 2018-03-15 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-05 | | Identifier: | 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid |
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 | | 0MO | | Name: | (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one | | Formula: | C15 H22 N2 O3 | | SMILES: | O=C1NCC(N1)Cc2cc(OCCCC)c(OC)cc2 | | InChi: | InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)/t12-/m1/s1 | | Synonyms: | 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone | | Definition date: | 2009-07-13 | | Last modified: | 2020-06-17 | | Identifier: | (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one |
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 | | F8S | | Name: | 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid | | Formula: | C18 H16 N2 O6 S | | SMILES: | c4(c(cc3c(Oc1c(cc(cc1)C2CCS(CC2)(=O)=O)C3=O)n4)C(O)=O)N | | InChi: | InChI=1S/C18H16N2O6S/c19-16-13(18(22)23)8-12-15(21)11-7-10(1-2-14(11)26-17(12)20-16)9-3-5-27(24,25)6-4-9/h1-2,7-9H,3-6H2,(H2,19,20)(H,22,23) | | Synonyms: | 7-[1,1-bis(oxidanylidene)thian-4-yl Analog of Amlexanox | | Definition date: | 2018-03-15 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-05 | | Identifier: | 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid |
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 | | F94 | | Name: | 7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one | | Formula: | C15 H10 O4 | | SMILES: | O=C1c3c(OC(=C1)c2cccc(O)c2)cc(O)cc3 | | InChi: | InChI=1S/C15H10O4/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-8,16-17H | | Synonyms: | 7,3-dihydroxyflavone | | Definition date: | 2012-10-23 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-26 | | Identifier: | 7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one |
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 | | F9P | | Name: | N-hydroxycyclohexanecarboxamide | | Formula: | C7 H13 N O2 | | SMILES: | C1CCCCC1C(NO)=O | | InChi: | InChI=1S/C7H13NO2/c9-7(8-10)6-4-2-1-3-5-6/h6,10H,1-5H2,(H,8,9) | | Synonyms: | cyclohexylhydroxamate | | Definition date: | 2018-03-22 | | Last modified: | 2020-06-17 | | Release date: | 2018-05-30 | | Identifier: | N-hydroxycyclohexanecarboxamide |
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 | | 0O8 | | Name: | (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate | | Formula: | C25 H53 N O4 P | | SMILES: | O=P(O)(OC1CC[N+](C)(C)CC1)OCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3/p+1 | | Synonyms: | PERIFOSINE | | Definition date: | 2012-03-29 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-26 | | Identifier: | 4-{[(R)-hydroxy(octadecyloxy)phosphoryl]oxy}-1,1-dimethylpiperidinium |
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 | | 0OA | | Name: | (1R,2S,3R,4S,6S)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen
(S)-phosphate | | Formula: | C35 H69 O10 P | | SMILES: | O=P(O)(OC2C(OCC1CCCCC1)CC(O)C(O)C2O)OCC(OC)COCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C35H69O10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-42-27-30(41-2)28-44-46(39,40)45-35-32(25-31(36)33(37)34(35)38)43-26-29-22-19-18-20-23-29/h29-38H,3-28H2,1-2H3,(H,39,40)/t30-,31+,32+,33-,34+,35+/m1/s1 | | Synonyms: | phosphatidylinositol ether lipid analogue 24 (PIA24) | | Definition date: | 2012-03-30 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-26 | | Identifier: | (1R,2S,3R,4S,6S)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen (S)-phosphate |
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 | | FAJ | | Name: | FAD-trans-2-Phenylcyclopropylamine Adduct | | Formula: | C36 H43 N9 O16 P2 | | SMILES: | O=C4NC(=O)N=C5N(c1cc(c(cc1N3C(O)CC(c2ccccc2)C345)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC8OC(n7cnc6c(ncnc67)N)C(O)C8O | | InChi: | InChI=1S/C36H43N9O16P2/c1-16-8-20-21(9-17(16)2)45-25(48)10-19(18-6-4-3-5-7-18)36(45)33(41-35(53)42-34(36)52)43(20)11-22(46)27(49)23(47)12-58-62(54,55)61-63(56,57)59-13-24-28(50)29(51)32(60-24)44-15-40-26-30(37)38-14-39-31(26)44/h3-9,14-15,19,22-25,27-29,32,46-51H,10-13H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H,42,52,53)/t19-,22+,23-,24-,25-,27+,28-,29-,32-,36+/m1/s1 | | Synonyms: | FAD-PCPA Adduct | | Definition date: | 2013-03-15 | | Last modified: | 2020-06-17 | | Release date: | 2013-03-27 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-phenyl-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name) |
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 | | FAY | | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl
(2R,3S,4S)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen
diphosphate | | Formula: | C27 H31 N9 O16 P2 | | SMILES: | O=Cc2c(cc3N=C1C(=O)NC(=O)N=C1N(c3c2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C | | InChi: | InChI=1S/C27H31N9O16P2/c1-10-2-12-13(3-11(10)5-37)35(24-18(32-12)25(43)34-27(44)33-24)4-14(38)19(40)15(39)6-49-53(45,46)52-54(47,48)50-7-16-20(41)21(42)26(51-16)36-9-31-17-22(28)29-8-30-23(17)36/h2-3,5,8-9,14-16,19-21,26,38-42H,4,6-7H2,1H3,(H,45,46)(H,47,48)(H2,28,29,30)(H,34,43,44)/t14-,15+,16+,19-,20+,21+,26+/m0/s1 | | Synonyms: | 8-FORMYL-FLAVIN-ADENINE DINUCLEOTIDE | | Definition date: | 2011-06-02 | | Last modified: | 2020-06-17 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
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 | | 0P1 | | Name: | N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl
}-L-alaninamide | | Formula: | C29 H40 N3 O9 P | | SMILES: | O=C(OC)C(OP(=O)(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C)C)CC(C)C)Cc2ccccc2 | | InChi: | InChI=1S/C29H40N3O9P/c1-19(2)16-25(42(37,38)41-24(28(35)39-5)17-22-12-8-6-9-13-22)32-27(34)20(3)30-26(33)21(4)31-29(36)40-18-23-14-10-7-11-15-23/h6-15,19-21,24-25H,16-18H2,1-5H3,(H,30,33)(H,31,36)(H,32,34)(H,37,38)/t20-,21-,24-,25+/m0/s1 | | Synonyms: | Cbz-Ala-Ala-Leu(P)-(O)-Phe-OMe | | Definition date: | 2008-10-27 | | Last modified: | 2020-06-17 | | Identifier: | N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1R)-1-[(R)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy}phosphoryl]-3-methylbutyl}-L-alaninamide |
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