 | | DLE | | Name: | D-LEUCINE | | Formula: | C6 H13 N O2 | | SMILES: | O=C(O)C(N)CC(C)C | | InChi: | InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | D-leucine |
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 | | DLY | | Name: | D-LYSINE | | Formula: | C6 H14 N2 O2 | | SMILES: | O=C(O)C(N)CCCCN | | InChi: | InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | D-lysine |
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 | | LEU | | Name: | LEUCINE | | Formula: | C6 H13 N O2 | | SMILES: | O=C(O)C(N)CC(C)C | | InChi: | InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | L-leucine |
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 | | OZL | | Name: | (8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide | | Formula: | C25 H40 N6 O4 S2 | | SMILES: | CC(C)(C)NC(=O)N[CH](C(=O)N1CC2(C[CH]1C(=O)N[CH](C[CH]3CCNC3=O)C#N)SCCS2)C(C)(C)C | | InChi: | InChI=1S/C25H40N6O4S2/c1-23(2,3)18(29-22(35)30-24(4,5)6)21(34)31-14-25(36-9-10-37-25)12-17(31)20(33)28-16(13-26)11-15-7-8-27-19(15)32/h15-18H,7-12,14H2,1-6H3,(H,27,32)(H,28,33)(H2,29,30,35)/t15-,16-,17-,18+/m0/s1 | | Definition date: | 2023-02-28 | | Last modified: | 2023-10-13 | | Release date: | 2023-10-18 | | Identifier: | (8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide |
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 | | XQQ | | Name: | 4-[(4S)-8-amino-3-{(2S)-1-[(2E)-but-2-enoyl]pyrrolidin-2-yl}imidazo[1,5-a]pyrazin-1-yl]-N-(pyridin-2-yl)benzamide | | Formula: | C26 H25 N7 O2 | | SMILES: | O=C(C=CC)N1CCCC1c1nc(c2ccc(cc2)C(=O)Nc2ccccn2)c2n1ccnc2N | | InChi: | InChI=1S/C26H25N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h2-4,6,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/b6-2+/t19-/m0/s1 | | Synonyms: | 4-{(4S)-8-amino-3-[(2S)-1-(but-2-ynoyl)pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl}-N-(pyridin-2-yl)benzamide | | Definition date: | 2022-12-05 | | Last modified: | 2023-08-14 | | Release date: | 2023-07-05 | | Identifier: | 4-[(4S)-8-amino-3-{(2S)-1-[(2E)-but-2-enoyl]pyrrolidin-2-yl}imidazo[1,5-a]pyrazin-1-yl]-N-(pyridin-2-yl)benzamide |
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 | | WIB | | Name: | 4-[bromo(dichloro)methanesulfonyl]-N-cyclohexyl-2-nitroaniline | | Formula: | C13 H15 Br Cl2 N2 O4 S | | SMILES: | BrC(Cl)(Cl)S(=O)(=O)c1ccc(NC2CCCCC2)c(c1)[N+]([O-])=O | | InChi: | InChI=1S/C13H15BrCl2N2O4S/c14-13(15,16)23(21,22)10-6-7-11(12(8-10)18(19)20)17-9-4-2-1-3-5-9/h6-9,17H,1-5H2 | | Definition date: | 2022-09-12 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | 4-[bromo(dichloro)methanesulfonyl]-N-cyclohexyl-2-nitroaniline |
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 | | DYO | | Name: | 3-[4-(aminomethyl)phenyl]-6-[[1-[[2-chloranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-oxidanyl-piperidin-4-yl]methyl]-2-methyl-pyrazolo[4,3-d]pyrimidin-7-one | | Formula: | C28 H29 Cl N8 O3 | | SMILES: | Cn1nc2C(=O)N(CC3(O)CCN(CC3)Cc4ccc(cc4Cl)c5nocn5)C=Nc2c1c6ccc(CN)cc6 | | InChi: | InChI=1S/C28H29ClN8O3/c1-35-25(19-4-2-18(13-30)3-5-19)23-24(33-35)27(38)37(16-31-23)15-28(39)8-10-36(11-9-28)14-21-7-6-20(12-22(21)29)26-32-17-40-34-26/h2-7,12,16-17,39H,8-11,13-15,30H2,1H3 | | Definition date: | 2022-04-16 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | 3-[4-(aminomethyl)phenyl]-6-[[1-[[2-chloranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-oxidanyl-piperidin-4-yl]methyl]-2-methyl-pyrazolo[4,3-d]pyrimidin-7-one |
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 | | 8R1 | | Name: | (R)-2-Aminobutanamide | | Formula: | C4 H10 N2 O | | SMILES: | CC[CH](N)C(N)=O | | InChi: | InChI=1S/C4H10N2O/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H2,6,7)/t3-/m1/s1 | | Synonyms: | (2R)-2-azanylbutanamide | | Definition date: | 2021-10-28 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | (2~{R})-2-azanylbutanamide |
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 | | 7OB | | Name: | 4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate | | Formula: | C20 H13 F3 N4 O2 | | SMILES: | [O-]C1=C(C(=O)N2C=CC=CC2=[N+]1Cc3cncnc3)c4cccc(c4)C(F)(F)F | | InChi: | InChI=1S/C20H13F3N4O2/c21-20(22,23)15-5-3-4-14(8-15)17-18(28)26-7-2-1-6-16(26)27(19(17)29)11-13-9-24-12-25-10-13/h1-10,12H,11H2 | | Synonyms: | Triflumezopyrim | | Definition date: | 2021-08-10 | | Last modified: | 2022-01-28 | | Release date: | 2022-02-02 | | Identifier: | 4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate |
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 | | XKV | | Name: | (2R)-2-aminobutanamide | | Formula: | C4 H10 N2 O | | SMILES: | CCC(N)C(N)=O | | InChi: | InChI=1S/C4H10N2O/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H2,6,7) | | Definition date: | 2020-12-18 | | Last modified: | 2021-06-18 | | Release date: | 2021-06-23 | | Identifier: | (2R)-2-aminobutanamide |
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 | | BEA | | Name: | 5-METHYL-1,2,4-TRIAZOLO[3,4-B]BENZOTHIAZOLE | | Formula: | C9 H8 N3 S | | SMILES: | n2[nH+]c3sc1c(c(ccc1)C)n3c2 | | InChi: | InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3/p+1 | | Synonyms: | TRICYCLAZOLE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 5-methyl[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ium |
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 | | 401 | | Name: | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid | | Formula: | C21 H21 F4 N O4 | | SMILES: | FC(F)(F)c1ccc(c(F)c1)C(=O)NCc2cc(ccc2OC)CC(C(=O)O)CC | | InChi: | InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)14(9-12)11-26-19(27)16-6-5-15(10-17(16)22)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m0/s1 | | Synonyms: | (S)-2-{3-[(2-fluoro-4-trifluoromethylbenzoylamino)methyl]-4-methoxybenzyl} butyric acid | | Definition date: | 2008-05-09 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid |
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 | | WGS | | Name: | 3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine | | Formula: | C11 H15 F N2 O | | SMILES: | N(c1c(F)cccn1)CC2CCOCC2 | | InChi: | InChI=1S/C11H15FN2O/c12-10-2-1-5-13-11(10)14-8-9-3-6-15-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,13,14) | | Definition date: | 2020-10-30 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine |
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 | | XS2 | | Name: | METHYL4,4II,4III,4IV-TETRATHIO-BETA-D-XYLOPENTOSIDE | | Formula: | C26 H44 O17 S4 | | SMILES: | S(C2COC(SC1C(O)C(O)C(OC)OC1)C(O)C2O)C5OCC(SC4OCC(SC3OCC(O)C(O)C3O)C(O)C4O)C(O)C5O | | InChi: | InChI=1S/C26H44O17S4/c1-38-22-17(33)13(29)8(3-39-22)44-24-19(35)15(31)10(5-41-24)46-26-21(37)16(32)11(6-43-26)47-25-20(36)14(30)9(4-42-25)45-23-18(34)12(28)7(27)2-40-23/h7-37H,2-6H2,1H3/t7?,8-,9?,10-,11-,12?,13+,14?,15+,16+,17-,18?,19-,20?,21-,22+,23?,24+,25?,26+/m1/s1 | | Definition date: | 2004-10-14 | | Last modified: | 2020-07-17 | | Identifier: | methyl pentopyranosyl-(1->4)-4-thiopentopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-alpha-D-xylopyranoside |
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 | | 0TS | | Name: | beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyrano
syl-(1->4)-1-thio-beta-D-glucopyranose | | Formula: | C30 H52 O23 S3 | | SMILES: | S(C2C(OC(OC1C(O)C(O)C(S)OC1CO)C(O)C2O)CO)C5OC(C(OC4OC(CO)C(SC3OC(CO)C(O)C(O)C3O)C(O)C4O)C(O)C5O)CO | | InChi: | InChI=1S/C30H52O23S3/c31-1-6-11(36)12(37)20(45)29(50-6)55-24-9(4-34)48-27(18(43)15(24)40)53-23-8(3-33)51-30(21(46)14(23)39)56-25-10(5-35)47-26(17(42)16(25)41)52-22-7(2-32)49-28(54)19(44)13(22)38/h6-46,54H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+/m1/s1 | | Synonyms: | hemithiocellodextrin | | Definition date: | 2012-06-08 | | Last modified: | 2020-07-17 | | Identifier: | beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-1-thio-beta-D-glucopyranose |
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 | | CR1 | | Name: | N-(methoxycarbonyl)-beta-D-glucopyranosylamine | | Formula: | C8 H15 N O7 | | SMILES: | O=C(OC)NC1OC(C(O)C(O)C1O)CO | | InChi: | InChI=1S/C8H15NO7/c1-15-8(14)9-7-6(13)5(12)4(11)3(2-10)16-7/h3-7,10-13H,2H2,1H3,(H,9,14)/t3-,4-,5+,6-,7-/m1/s1 | | Synonyms: | 1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCOPYRANOSE | | Definition date: | 2000-09-15 | | Last modified: | 2020-07-17 | | Identifier: | N-(methoxycarbonyl)-beta-D-glucopyranosylamine |
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 | | UDM | | Name: | URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE | | Formula: | C18 H29 N3 O16 P2 | | SMILES: | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O | | InChi: | InChI=1S/C18H29N3O16P2/c1-7(23)19-12-10(35-8(4-22)13(25)15(12)27)6-38(30,31)37-39(32,33)34-5-9-14(26)16(28)17(36-9)21-3-2-11(24)20-18(21)29/h2-3,8-10,12-17,22,25-28H,4-6H2,1H3,(H,19,23)(H,30,31)(H,32,33)(H,20,24,29)/t8-,9-,10-,12+,13-,14-,15-,16-,17-/m1/s1 | | Synonyms: | ((2S,3R,4R,5S,6R)-3-ACETAMIDO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YL)METHYLPHOSPHONIC
(((2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL PHOSPHORIC)
ANHYDRIDE | | Definition date: | 2005-09-21 | | Last modified: | 2020-06-17 | | Identifier: | [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid |
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 | | VMC | | Name: | 2-methoxy-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1H-imidazol-5-yl)phenol | | Formula: | C23 H27 N3 O2 | | SMILES: | Oc1c(OC)cc(cc1)c2n(cnc2c3ccccc3)CCC4N(CCC4)C | | InChi: | InChI=1S/C23H27N3O2/c1-25-13-6-9-19(25)12-14-26-16-24-22(17-7-4-3-5-8-17)23(26)18-10-11-20(27)21(15-18)28-2/h3-5,7-8,10-11,15-16,19,27H,6,9,12-14H2,1-2H3/t19-/m0/s1 | | Definition date: | 2019-09-06 | | Last modified: | 2020-03-13 | | Release date: | 2020-03-18 | | Identifier: | 2-methoxy-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1H-imidazol-5-yl)phenol |
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 | | BO6 | | Name: | 3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole | | Formula: | C28 H25 N3 | | SMILES: | C[n+]1ccc(C=Cc2ccc3[nH]c4ccc(C=Cc5cc[n+](C)cc5)cc4c3c2)cc1 | | InChi: | InChI=1S/C28H24N3/c1-30-15-11-21(12-16-30)3-5-23-7-9-27-25(19-23)26-20-24(8-10-28(26)29-27)6-4-22-13-17-31(2)18-14-22/h3-20H,1-2H3/q+1/p+1 | | Definition date: | 2019-02-25 | | Last modified: | 2019-10-18 | | Release date: | 2019-10-23 | | Identifier: | 3,6-bis[(~{E})-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9~{H}-carbazole |
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 | | 93U | | Name: | 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate | | Formula: | C26 H27 N3 O6 | | SMILES: | c2(C)c(C(=O)OC)c(c1cc(ccc1)[N+](=O)[O-])c(c(n2)C)C(OCCN(C)Cc3ccccc3)=O | | InChi: | InChI=1S/C26H27N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15H,13-14,16H2,1-4H3 | | Definition date: | 2017-12-11 | | Last modified: | 2019-03-08 | | Release date: | 2019-03-13 | | Identifier: | 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate |
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 | | F6K | | Name: | Homosalinosporamide A - bound form | | Formula: | C16 H24 Cl N O4 | | SMILES: | C[C]1(O)[CH](CCCCl)C(=O)N[C]1(C=O)[CH](O)[CH]2CCCC=C2 | | InChi: | InChI=1S/C16H24ClNO4/c1-15(22)12(8-5-9-17)14(21)18-16(15,10-19)13(20)11-6-3-2-4-7-11/h3,6,10-13,20,22H,2,4-5,7-9H2,1H3,(H,18,21)/t11-,12+,13+,15+,16-/m1/s1 | | Definition date: | 2018-06-02 | | Last modified: | 2018-07-27 | | Release date: | 2018-08-01 | | Identifier: | (2~{R},3~{S},4~{R})-4-(3-chloranylpropyl)-2-[(~{S})-[(1~{S})-cyclohex-2-en-1-yl]-oxidanyl-methyl]-3-methyl-3-oxidanyl-5-oxidanylidene-pyrrolidine-2-carbaldehyde |
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 | | E4Z | | Name: | Baloxavir acid | | Formula: | C24 H19 F2 N3 O4 S | | SMILES: | OC1=C2N(C=CC1=O)N([CH]3COCCN3C2=O)[CH]4c5ccc(F)c(F)c5CSc6ccccc46 | | InChi: | InChI=1S/C24H19F2N3O4S/c25-16-6-5-13-15(20(16)26)12-34-18-4-2-1-3-14(18)21(13)29-19-11-33-10-9-27(19)24(32)22-23(31)17(30)7-8-28(22)29/h1-8,19,21,31H,9-12H2/t19-,21+/m1/s1 | | Definition date: | 2018-02-19 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | (3~{R})-2-[(11~{S})-7,8-bis(fluoranyl)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-11-oxidanyl-5-oxa-1,2,8-triazatricyclo[8.4.0.0^{3,8}]tetradeca-10,13-diene-9,12-dione |
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 | | 96T | | Name: | 3-[(2~{Z})-2-[(~{E})-3-[3,3-dimethyl-1-(3-oxidanylpropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indol-1-yl]propan-1-ol | | Formula: | C29 H37 N2 O2 | | SMILES: | CC1(C)C(=CC=CC2=[N+](CCCO)c3ccccc3C2(C)C)N(CCCO)c4ccccc14 | | InChi: | InChI=1S/C29H37N2O2/c1-28(2)22-12-5-7-14-24(22)30(18-10-20-32)26(28)16-9-17-27-29(3,4)23-13-6-8-15-25(23)31(27)19-11-21-33/h5-9,12-17,32-33H,10-11,18-21H2,1-4H3/q+1 | | Definition date: | 2017-04-26 | | Last modified: | 2017-12-15 | | Release date: | 2017-12-20 | | Identifier: | 3-[(2~{Z})-2-[(~{E})-3-[3,3-dimethyl-1-(3-oxidanylpropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indol-1-yl]propan-1-ol |
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 | | 5JJ | | Name: | N~6~-(2,6-dichlorophenyl)-N~6~-(pent-2-yn-1-yl)quinoline-4,6-diamine | | Formula: | C20 H17 Cl2 N3 | | SMILES: | c1cc(N)c2c(n1)ccc(c2)N(c3c(Cl)cccc3Cl)CC#CCC | | InChi: | InChI=1S/C20H17Cl2N3/c1-2-3-4-12-25(20-16(21)6-5-7-17(20)22)14-8-9-19-15(13-14)18(23)10-11-24-19/h5-11,13H,2,12H2,1H3,(H2,23,24) | | Definition date: | 2015-10-02 | | Last modified: | 2017-03-17 | | Release date: | 2017-03-22 | | Identifier: | N~6~-(2,6-dichlorophenyl)-N~6~-(pent-2-yn-1-yl)quinoline-4,6-diamine |
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 | | 69J | | Name: | 5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol | | Formula: | C14 H12 F N O4 | | SMILES: | [O-][N+](=O)c1ccccc1Oc2cc(F)c(cc2O)CC | | InChi: | InChI=1S/C14H12FNO4/c1-2-9-7-12(17)14(8-10(9)15)20-13-6-4-3-5-11(13)16(18)19/h3-8,17H,2H2,1H3 | | Definition date: | 2016-02-21 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | 5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol |
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