 | | H2V | | Name: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate | | Formula: | C13 H26 N3 O8 P S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CN | | InChi: | InChI=1S/C13H26N3O8PS/c1-13(2,8-24-25(21,22)23)11(19)12(20)16-4-3-9(17)15-5-6-26-10(18)7-14/h11,19H,3-8,14H2,1-2H3,(H,15,17)(H,16,20)(H2,21,22,23)/t11-/m1/s1 | | Synonyms: | S-glycyl-4'-phosphopantetheine | | Definition date: | 2012-09-21 | | Last modified: | 2021-03-01 | | Release date: | 2013-03-06 | | Identifier: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate |
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 | | H37 | | Name: | D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide | | Formula: | C25 H33 Cl N6 O3 | | SMILES: | ClCC(=O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N | | InChi: | InChI=1S/C25H33ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/t19-,20+,21+/m1/s1 | | Synonyms: | FFRCK | | Definition date: | 2010-11-09 | | Last modified: | 2021-03-01 | | Identifier: | D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide |
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 | | 3FQ | | Name: | (2S)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL | | Formula: | C22 H25 F4 N5 O3 | | SMILES: | FC(F)(F)c1cc(c(F)cc1)NC3(O)N=CNC(Nc2ccc(OCC(O)CN(C)C)cc2)=C3 | | InChi: | InChI=1S/C22H25F4N5O3/c1-31(2)11-16(32)12-34-17-6-4-15(5-7-17)29-20-10-21(33,28-13-27-20)30-19-9-14(22(24,25)26)3-8-18(19)23/h3-10,13,16,29-30,32-33H,11-12H2,1-2H3,(H,27,28)/t16-,21+/m0/s1 | | Synonyms: | 1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL | | Definition date: | 2002-06-11 | | Last modified: | 2021-03-01 | | Identifier: | (4S)-6-[(4-{[(2S)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]-4-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}-1,4-dihydropyrimidin-4-ol |
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 | | 3GB | | Name: | N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide | | Formula: | C62 H117 N O18 | | SMILES: | O=C(NC(C(O)/C=C/CCCCCCCCCCCCC)COC3OC(C(OC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)C(O)C3O)CO)CCCCCCCCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C62H117NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)44-76-60-56(74)53(71)58(48(42-65)78-60)81-62-57(75)54(72)59(49(43-66)79-62)80-61-55(73)52(70)51(69)47(41-64)77-61/h37,39,45-49,51-62,64-67,69-75H,3-36,38,40-44H2,1-2H3,(H,63,68)/b39-37+/t45-,46+,47+,48+,49+,51-,52-,53+,54+,55+,56+,57+,58+,59-,60+,61+,62-/m0/s1 | | Synonyms: | Globotrihexosylceramide | | Definition date: | 2011-08-04 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide |
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 | | 3H1 | | Name: | 3-chloro-4,6-dihydroxy-2-methyl-5-{(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde | | Formula: | C23 H29 Cl O4 | | SMILES: | O=Cc1c(O)c(c(O)c(Cl)c1C)C/C=C(/C=C/C2(C)C(C(=O)CCC2C)C)C | | InChi: | InChI=1S/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6+/t14-,16+,23+/m1/s1 | | Synonyms: | ASCOCHLORIN | | Definition date: | 2009-04-13 | | Last modified: | 2021-03-01 | | Identifier: | 3-chloro-4,6-dihydroxy-2-methyl-5-{(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde |
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 | | 3HG | | Name: | 3-HYDROXYPENTANEDIOIC ACID | | Formula: | C5 H8 O5 | | SMILES: | O=C(O)CC(O)CC(=O)O | | InChi: | InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10) | | Synonyms: | 3-HYDROXYGLUTARIC ACID | | Definition date: | 2005-06-22 | | Last modified: | 2021-03-01 | | Identifier: | 3-hydroxypentanedioic acid |
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 | | 3IL | | Name: | 3-(INDOL-3-YL) LACTATE | | Formula: | C11 H11 N O3 | | SMILES: | O=C(O)C(O)Cc2c1ccccc1nc2 | | InChi: | InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m0/s1 | | Synonyms: | (2S)-2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACID | | Definition date: | 2005-09-07 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid |
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 | | 3IT | | Name: | 2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one | | Formula: | C10 H10 O2 | | SMILES: | C=C(/C)C=1C=CC=CC(=O)C=1O | | InChi: | InChI=1S/C10H10O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-6H,1H2,2H3,(H,11,12) | | Synonyms: | 3-isopropenyl-tropolone | | Definition date: | 2015-03-20 | | Last modified: | 2021-03-01 | | Release date: | 2015-10-21 | | Identifier: | 2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one |
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 | | 3JN | | Name: | 3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid | | Formula: | C12 H10 O6 | | SMILES: | O=C(O)C/C=C/c1cccc(C(=O)O)c1C(=O)O | | InChi: | InChI=1S/C12H10O6/c13-9(14)6-2-4-7-3-1-5-8(11(15)16)10(7)12(17)18/h1-5H,6H2,(H,13,14)(H,15,16)(H,17,18)/b4-2+ | | Synonyms: | 3-carboxy-propenyl-phthalic acid | | Definition date: | 2014-08-27 | | Last modified: | 2021-03-01 | | Release date: | 2014-12-10 | | Identifier: | 3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid |
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 | | N02 | | Name: | (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | Formula: | C26 H46 N4 O10 S | | SMILES: | C(=O)(NC(C(=O)NC(C(O)S(=O)(=O)O)CC1CCNC1=O)CC(C)C)OC2(CCN(CC2)C(=O)OC(C)(C)C)CC | | InChi: | InChI=1S/C26H46N4O10S/c1-7-26(9-12-30(13-10-26)24(35)40-25(4,5)6)39-23(34)29-18(14-16(2)3)21(32)28-19(22(33)41(36,37)38)15-17-8-11-27-20(17)31/h16-19,22,33H,7-15H2,1-6H3,(H,27,31)(H,28,32)(H,29,34)(H,36,37,38)/t17-,18-,19-,22-/m0/s1 | | Synonyms: | bound form | | Definition date: | 2017-07-28 | | Last modified: | 2021-03-01 | | Release date: | 2018-04-04 | | Identifier: | (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | 3K5 | | Name: | 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose | | Formula: | C40 H52 O17 | | SMILES: | O=C(OC1C(O)C(OC(C)C1O)OC7C(OC(=O)C)C(O)C(OC7OC(=O)C6CCC5C(OC3(OCC(C(OC(=O)C=Cc2ccccc2)C3)C)C54OC4)C6)C)C | | InChi: | InChI=1S/C40H52O17/c1-19-17-48-40(16-28(19)54-29(43)14-11-24-9-7-6-8-10-24)39(18-49-39)26-13-12-25(15-27(26)57-40)36(47)56-38-35(34(53-23(5)42)31(45)21(3)51-38)55-37-32(46)33(52-22(4)41)30(44)20(2)50-37/h6-11,14,19-21,25-28,30-35,37-38,44-46H,12-13,15-18H2,1-5H3/b14-11+/t19-,20-,21-,25+,26-,27+,28+,30-,31-,32-,33+,34+,35-,37+,38+,39+,40+/m1/s1 | | Synonyms: | Phyllanthoside | | Definition date: | 2014-08-29 | | Last modified: | 2021-03-01 | | Release date: | 2014-10-22 | | Identifier: | 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose |
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 | | N0G | | Name: | 2-{(Z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-N-[(1S)-1-phenylethyl]benzamide | | Formula: | C26 H22 N2 O2 | | SMILES: | N(/c2c(C(=O)NC(c1ccccc1)C)cccc2)=C/c4c3c(cccc3)ccc4O | | InChi: | InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17-/t18-/m0/s1 | | Synonyms: | Sirtinol | | Definition date: | 2019-04-26 | | Last modified: | 2021-03-01 | | Release date: | 2020-06-24 | | Identifier: | 2-{(Z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-N-[(1S)-1-phenylethyl]benzamide |
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 | | 3KK | | Name: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate | | Formula: | C25 H42 N7 O18 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C(O)(C)C | | InChi: | InChI=1S/C25H42N7O18P3S/c1-24(2,18(35)21(36)28-6-5-14(33)27-7-8-54-23(37)25(3,4)38)10-47-53(44,45)50-52(42,43)46-9-13-17(49-51(39,40)41)16(34)22(48-13)32-12-31-15-19(26)29-11-30-20(15)32/h11-13,16-18,22,34-35,38H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,16-,17-,18+,22-/m1/s1 | | Synonyms: | 2-Hydroxyisobutyryl-Coenzyme A | | Definition date: | 2014-09-04 | | Last modified: | 2021-03-01 | | Release date: | 2015-03-11 | | Identifier: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate (non-preferred name) |
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 | | 3KL | | Name: | (5beta,9beta)-3-oxocholan-24-oic acid | | Formula: | C24 H38 O3 | | SMILES: | O=C(O)CCC(C1CCC2C1(C)CCC4C2CCC3CC(=O)CCC34C)C | | InChi: | InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1 | | Synonyms: | 3-keto-lithocholic acid | | Definition date: | 2013-02-08 | | Last modified: | 2021-03-01 | | Release date: | 2013-06-26 | | Identifier: | (5beta,9beta)-3-oxocholan-24-oic acid |
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 | | 3L1 | | Name: | (2S,3R,5S)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol | | Formula: | C10 H13 N5 O3 | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3)CO)N | | InChi: | InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m1/s1 | | Synonyms: | L-2'-deoxyadenosine | | Definition date: | 2008-02-18 | | Last modified: | 2021-03-01 | | Identifier: | 9-(2-deoxy-beta-L-erythro-pentofuranosyl)-9H-purin-6-amine |
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 | | 3L2 | | Name: | (4S,5R,10E,12Z,16R,16aS,17S,18R,19aR,23aR)-4-hydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione | | Formula: | C27 H34 O9 | | SMILES: | O=C1OC5CC4OC2C=C(C)CCC2(COC(=O)C(O)C(C)CCOC(=O)C=CC=C1)C5(C)C34OC3 | | InChi: | InChI=1S/C27H34O9/c1-16-8-10-26-14-33-24(31)23(30)17(2)9-11-32-21(28)6-4-5-7-22(29)36-18-13-20(35-19(26)12-16)27(15-34-27)25(18,26)3/h4-7,12,17-20,23,30H,8-11,13-15H2,1-3H3/b6-4+,7-5-/t17-,18-,19-,20-,23+,25-,26-,27+/m1/s1 | | Synonyms: | Verrucarin A | | Definition date: | 2014-09-11 | | Last modified: | 2021-03-01 | | Release date: | 2014-10-22 | | Identifier: | (4S,5R,10E,12Z,16R,16aS,17S,18R,19aR,23aR)-4-hydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione |
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 | | 3LA | | Name: | 3-OXODODECANOIC ACID | | Formula: | C12 H22 O3 | | SMILES: | O=C(CCCCCCCCC)CC(=O)O | | InChi: | InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h2-10H2,1H3,(H,14,15) | | Synonyms: | 3-OXO-LAURIC ACID | | Definition date: | 2009-11-16 | | Last modified: | 2021-03-01 | | Identifier: | 3-oxododecanoic acid |
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 | | N2F | | Name: | 2-[(4-methylphenyl)sulfonyl]-5-nitrofuran | | Formula: | C11 H9 N O5 S | | SMILES: | O=[N+]([O-])c1oc(cc1)S(=O)(=O)c2ccc(cc2)C | | InChi: | InChI=1S/C11H9NO5S/c1-8-2-4-9(5-3-8)18(15,16)11-7-6-10(17-11)12(13)14/h2-7H,1H3 | | Synonyms: | NSC697923 | | Definition date: | 2014-02-07 | | Last modified: | 2021-03-01 | | Release date: | 2015-05-06 | | Identifier: | 2-[(4-methylphenyl)sulfonyl]-5-nitrofuran |
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 | | N2H | | Name: | (4-azanylbutylamino)methanediol | | Formula: | C5 H14 N2 O2 | | SMILES: | NCCCCNC(O)O | | InChi: | InChI=1S/C5H14N2O2/c6-3-1-2-4-7-5(8)9/h5,7-9H,1-4,6H2 | | Synonyms: | N-(dihydroxymethyl)putrescine | | Definition date: | 2015-12-31 | | Last modified: | 2021-03-01 | | Release date: | 2016-04-20 | | Identifier: | (4-azanylbutylamino)methanediol |
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 | | N32 | | Name: | 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid | | Formula: | C24 H27 N O6 | | SMILES: | O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC3(C(=O)C=CC42CCC(/C(=C)C2)CC34)C | | InChi: | InChI=1S/C24H27NO6/c1-13-12-24-9-5-14(13)11-17(24)23(2,18(27)6-10-24)8-7-19(28)25-20-16(26)4-3-15(21(20)29)22(30)31/h3-4,6,10,14,17,26,29H,1,5,7-9,11-12H2,2H3,(H,25,28)(H,30,31)/t14-,17-,23-,24+/m0/s1 | | Synonyms: | Platencin | | Definition date: | 2009-06-02 | | Last modified: | 2021-03-01 | | Identifier: | 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid |
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 | | N3C | | Name: | 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE | | Formula: | C42 H45 Cl N6 O5 S2 | | SMILES: | [O-][N+](=O)c2cc(ccc2NC(CCN(C)C)CSc1ccccc1)S(=O)(=O)NC(=O)c6ccc(N5CCN(Cc4c(c3ccc(Cl)cc3)cccc4)CC5)cc6 | | InChi: | InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1 | | Synonyms: | ABT-737 | | Definition date: | 2007-05-01 | | Last modified: | 2021-03-01 | | Identifier: | 4-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide |
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 | | N3E | | Name: | 1-[3-(4-CARBOXYPIPERIDIN-1-YL)-3-DEOXY-BETA-D-ARABINOFURANOSYL]PYRIMIDINE-2,4(1H,3H)-DIONE | | Formula: | C15 H21 N3 O7 | | SMILES: | O=C(O)C3CCN(C2C(OC(N1C(=O)NC(=O)C=C1)C2O)CO)CC3 | | InChi: | InChI=1S/C15H21N3O7/c19-7-9-11(17-4-1-8(2-5-17)14(22)23)12(21)13(25-9)18-6-3-10(20)16-15(18)24/h3,6,8-9,11-13,19,21H,1-2,4-5,7H2,(H,22,23)(H,16,20,24)/t9-,11-,12+,13-/m1/s1 | | Synonyms: | 3-N-PIPERIDINE-4-CARBOXYL-3-DEOXY-ARA-URIDINE | | Definition date: | 2006-03-17 | | Last modified: | 2021-03-01 | | Identifier: | 1-[3-(4-carboxypiperidin-1-yl)-3-deoxy-beta-D-arabinofuranosyl]pyrimidine-2,4(1H,3H)-dione |
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 | | N40 | | Name: | 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-(octylsulfonyl)-L-alaninamide | | Formula: | C24 H45 N3 O5 S | | SMILES: | C(CCCCCCC)S(NC(CC1CCCCC1)C(NC(CO)CC2CCNC2=O)=O)(=O)=O | | InChi: | InChI=1S/C24H45N3O5S/c1-2-3-4-5-6-10-15-33(31,32)27-22(16-19-11-8-7-9-12-19)24(30)26-21(18-28)17-20-13-14-25-23(20)29/h19-22,27-28H,2-18H2,1H3,(H,25,29)(H,26,30)/t20-,21-,22-/m0/s1 | | Synonyms: | 3-cyclohexyl-N~2~-(octylsulfonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide (bound form) | | Definition date: | 2016-09-12 | | Last modified: | 2021-03-01 | | Release date: | 2016-11-23 | | Identifier: | 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-(octylsulfonyl)-L-alaninamide |
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 | | N4E | | Name: | N-(4-ethoxyphenyl)acetamide | | Formula: | C10 H13 N O2 | | SMILES: | O=C(Nc1ccc(OCC)cc1)C | | InChi: | InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12) | | Synonyms: | phenacetin | | Definition date: | 2008-09-04 | | Last modified: | 2021-03-01 | | Identifier: | N-(4-ethoxyphenyl)acetamide |
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 | | N4M | | Name: | 1-[4-({(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-xylitol | | Formula: | C30 H45 N6 O16 P | | SMILES: | O=C2N=C(N)NC=1NC(C)C(NC=12)C(Nc3ccc(cc3)CC(O)C(O)C(O)COC4OC(C(O)C4O)COP(=O)(OC(C(=O)O)CCC(=O)O)O)C | | InChi: | InChI=1S/C30H45N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12-13,16-19,21,23-25,29,32,34,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H4,31,33,35,36,44)/t12-,13+,16+,17-,18-,19-,21+,23-,24-,25-,29+/m1/s1 | | Synonyms: | Tetrahydromethanopterin | | Definition date: | 2012-09-20 | | Last modified: | 2021-03-01 | | Release date: | 2012-10-26 | | Identifier: | 1-[4-({(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-xylitol |
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