 | | UN9 | | Name: | N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE | | Formula: | C12 H9 Cl N2 O4 | | SMILES: | O=C(O)CNC(=O)c1nc(Cl)c2c(c1O)cccc2 | | InChi: | InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17) | | Definition date: | 2006-06-15 | | Last modified: | 2024-09-27 | | Identifier: | N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine |
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 | | UNH | | Name: | ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER | | Formula: | C35 H54 N6 O8 | | SMILES: | O=C(N)C(c1ccccc1)NC(=O)CNC(=O)C(=O)C(NC(=O)C(NC(=O)C(NC(=O)OCC(C)C)C2CCCCC2)CC(C)C)CCC | | InChi: | InChI=1S/C35H54N6O8/c1-6-13-25(30(43)34(47)37-19-27(42)40-28(31(36)44)23-14-9-7-10-15-23)38-32(45)26(18-21(2)3)39-33(46)29(24-16-11-8-12-17-24)41-35(48)49-20-22(4)5/h7,9-10,14-15,21-22,24-26,28-29H,6,8,11-13,16-20H2,1-5H3,(H2,36,44)(H,37,47)(H,38,45)(H,39,46)(H,40,42)(H,41,48)/t25-,26-,28-,29-/m0/s1 | | Definition date: | 2005-07-27 | | Last modified: | 2024-09-27 | | Identifier: | N-[(1S)-1-{[(2-{[(1S)-2-amino-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}butyl]-N~2~-[(2S)-2-cyclohexyl-2-{[(2-methylpropoxy)carbonyl]amino}acetyl]-L-leucinamide |
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 | | 9XQ | | Name: | [azanyl-[(3-carboxyphenyl)amino]methylidene]azanium | | Formula: | C8 H10 N3 O2 | | SMILES: | NC(=[NH2+])Nc1cccc(c1)C(O)=O | | InChi: | InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)/p+1 | | Definition date: | 2017-07-27 | | Last modified: | 2024-09-27 | | Release date: | 2018-06-06 | | Identifier: | [azanyl-[(3-carboxyphenyl)amino]methylidene]azanium |
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 | | 9XX | | Name: | (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate | | Formula: | C38 H74 O4 | | SMILES: | C(CCC(OC(COC(CCCCCCCCCCCCCCC)=O)C)=O)CCCCCC(CCCCCCCC)C | | InChi: | InChI=1S/C38H74O4/c1-5-7-9-11-13-14-15-16-17-18-19-24-28-32-37(39)41-34-36(4)42-38(40)33-29-25-21-20-23-27-31-35(3)30-26-22-12-10-8-6-2/h35-36H,5-34H2,1-4H3/t35-,36-/m0/s1 | | Synonyms: | (S)-1-(palmitoyloxy)propan-2-yl (S)-10-methyloctadecanoate | | Definition date: | 2018-08-29 | | Last modified: | 2024-09-27 | | Release date: | 2018-11-14 | | Identifier: | (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate |
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 | | UO9 | | Name: | (2~{S})-2-[[(2~{S})-4-methyl-2-[[2-methyl-2-[oxidanyl(phenyl)-$l^{3}-sulfanyl]propoxy]carbonylamino]pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid | | Formula: | C24 H37 N3 O9 S2 | | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)S(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C24H37N3O9S2/c1-15(2)12-18(27-23(31)36-14-24(3,4)37(32)17-8-6-5-7-9-17)21(29)26-19(22(30)38(33,34)35)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,33,34,35)/t16-,18-,19-,22+,37-/m0/s1 | | Definition date: | 2022-08-23 | | Last modified: | 2024-09-27 | | Release date: | 2022-09-07 | | Identifier: | (1R,2S)-2-{[N-({2-[(S)-benzenesulfinyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | UON | | Name: | 4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde | | Formula: | C15 H11 Cl N2 O2 | | SMILES: | COc1ccc2n(c(Cl)nc2c1)c3ccc(C=O)cc3 | | InChi: | InChI=1S/C15H11ClN2O2/c1-20-12-6-7-14-13(8-12)17-15(16)18(14)11-4-2-10(9-19)3-5-11/h2-9H,1H3 | | Definition date: | 2021-03-03 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | 4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde |
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 | | UOT | | Name: | 4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde | | Formula: | C15 H11 Cl N2 O2 | | SMILES: | COc1ccc2nc(Cl)n(c3ccc(C=O)cc3)c2c1 | | InChi: | InChI=1S/C15H11ClN2O2/c1-20-12-6-7-13-14(8-12)18(15(16)17-13)11-4-2-10(9-19)3-5-11/h2-9H,1H3 | | Definition date: | 2021-03-03 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | 4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde |
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 | | UOX | | Name: | 3-(oxido-lambda~4~-selanyl)-L-alanine | | Formula: | C3 H6 N O3 Se | | SMILES: | O=C(O)C(N)C[SeH]=O | | InChi: | InChI=1S/C3H6NO3Se/c4-2(1-8-7)3(5)6/h2H,1,4H2,(H,5,6)/q-1/t2-/m0/s1 | | Definition date: | 2013-06-13 | | Last modified: | 2024-09-27 | | Identifier: | 3-(oxido-lambda~4~-selanyl)-L-alanine |
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 | | 9YZ | | Name: | methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate | | Formula: | C13 H16 N2 O3 | | SMILES: | CCC(=O)N1CCN(C(=O)OC)c2ccccc12 | | InChi: | InChI=1S/C13H16N2O3/c1-3-12(16)14-8-9-15(13(17)18-2)11-7-5-4-6-10(11)14/h4-7H,3,8-9H2,1-2H3 | | Definition date: | 2017-08-05 | | Last modified: | 2024-09-27 | | Release date: | 2018-03-14 | | Identifier: | methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate |
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 | | UPD | | Name: | 1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide | | Formula: | C14 H19 N3 O3 | | SMILES: | N(c1cnc(cc1)OC)C(C2CCN(C(C)=O)CC2)=O | | InChi: | InChI=1S/C14H19N3O3/c1-10(18)17-7-5-11(6-8-17)14(19)16-12-3-4-13(20-2)15-9-12/h3-4,9,11H,5-8H2,1-2H3,(H,16,19) | | Definition date: | 2020-05-26 | | Last modified: | 2024-09-27 | | Release date: | 2020-06-10 | | Identifier: | 1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide |
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 | | 9Z4 | | Name: | 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide | | Formula: | C18 H19 N5 O2 | | SMILES: | c21n(ccc1)ncc(c2NCc3cccc(c3)NC(=O)CC)C(N)=O | | InChi: | InChI=1S/C18H19N5O2/c1-2-16(24)22-13-6-3-5-12(9-13)10-20-17-14(18(19)25)11-21-23-8-4-7-15(17)23/h3-9,11,20H,2,10H2,1H3,(H2,19,25)(H,22,24) | | Synonyms: | 4-({[3-(acryloylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide bound form | | Definition date: | 2017-07-12 | | Last modified: | 2024-09-27 | | Release date: | 2017-10-04 | | Identifier: | 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide |
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 | | UPG | | Name: | URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Formula: | C15 H24 N2 O17 P2 | | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O | | InChi: | InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1 | | Synonyms: | URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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 | | UPJ | | Name: | 1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide | | Formula: | C15 H20 N2 O2 | | SMILES: | N(c1ccccc1)(C)C(C2CCN(C(C)=O)CC2)=O | | InChi: | InChI=1S/C15H20N2O2/c1-12(18)17-10-8-13(9-11-17)15(19)16(2)14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3 | | Definition date: | 2020-05-26 | | Last modified: | 2024-09-27 | | Release date: | 2020-06-10 | | Identifier: | 1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide |
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 | | UPK | | Name: | 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol | | Formula: | C16 H12 N2 O2 | | SMILES: | Oc1cc(ccc1C=O)n2ccnc2c3ccccc3 | | InChi: | InChI=1S/C16H12N2O2/c19-11-13-6-7-14(10-15(13)20)18-9-8-17-16(18)12-4-2-1-3-5-12/h1-11,20H | | Definition date: | 2021-03-04 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-16 | | Identifier: | 2-oxidanyl-4-(2-phenylimidazol-1-yl)benzaldehyde |
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 | | 9ZB | | Name: | 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one | | Formula: | C13 H18 N2 O | | SMILES: | CCN1CCN(C(=O)CC)c2ccccc12 | | InChi: | InChI=1S/C13H18N2O/c1-3-13(16)15-10-9-14(4-2)11-7-5-6-8-12(11)15/h5-8H,3-4,9-10H2,1-2H3 | | Definition date: | 2017-08-05 | | Last modified: | 2024-09-27 | | Release date: | 2018-08-29 | | Identifier: | 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one |
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 | | 9ZG | | Name: | (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate | | Formula: | C20 H26 N4 O3 | | SMILES: | CN(CN)N(C)C(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2 | | InChi: | InChI=1S/C20H26N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-15,21H2,1-2H3,(H,22,26)/t18-/m0/s1 | | Definition date: | 2021-11-22 | | Last modified: | 2024-09-27 | | Release date: | 2022-01-26 | | Identifier: | (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate |
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 | | UPQ | | Name: | 4-(4-methylimidazol-1-yl)benzaldehyde | | Formula: | C11 H10 N2 O | | SMILES: | Cc1cn(cn1)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C11H10N2O/c1-9-6-13(8-12-9)11-4-2-10(7-14)3-5-11/h2-8H,1H3 | | Definition date: | 2021-03-04 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-16 | | Identifier: | 4-(4-methylimidazol-1-yl)benzaldehyde |
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 | | UQ0 | | Name: | 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE | | Formula: | C9 H10 O4 | | SMILES: | O=C1C=C(C(=O)C(OC)=C1OC)C | | InChi: | InChI=1S/C9H10O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4H,1-3H3 | | Definition date: | 2011-11-26 | | Last modified: | 2024-09-27 | | Release date: | 2023-11-08 | | Identifier: | 2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione |
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 | | UQ1 | | Name: | UBIQUINONE-1 | | Formula: | C14 H18 O4 | | SMILES: | O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)C | | InChi: | InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione |
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 | | UQ4 | | Name: | N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine | | Formula: | C9 H8 N4 O5 | | SMILES: | C(=O)(CCNc1c2c(c(cc1)N(=O)=O)non2)O | | InChi: | InChI=1S/C9H8N4O5/c14-7(15)3-4-10-5-1-2-6(13(16)17)9-8(5)11-18-12-9/h1-2,10H,3-4H2,(H,14,15) | | Definition date: | 2020-05-27 | | Last modified: | 2024-09-27 | | Release date: | 2020-06-03 | | Identifier: | N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine |
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 | | A01 | | Name: | [(2,6-DIMETHOXYPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON | | Formula: | C10 H15 B N O6 | | SMILES: | COc1cccc(OC)c1C(=O)NC[B-](O)(O)O | | InChi: | InChI=1S/C10H15BNO6/c1-17-7-4-3-5-8(18-2)9(7)10(13)12-6-11(14,15)16/h3-5,14-16H,6H2,1-2H3,(H,12,13)/q-1 | | Definition date: | 2010-12-15 | | Last modified: | 2024-09-27 | | Identifier: | [(2,6-dimethoxyphenyl)carbonylamino]methyl-trihydroxy-boron |
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 | | A0A | | Name: | (2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTANOIC ACID | | Formula: | C5 H7 N O5 | | SMILES: | O=C(OC=O)CC(C(=O)O)N | | InChi: | InChI=1S/C5H7NO5/c6-3(5(9)10)1-4(8)11-2-7/h2-3H,1,6H2,(H,9,10)/t3-/m0/s1 | | Definition date: | 2007-12-11 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-4-(formyloxy)-4-oxobutanoic acid (non-preferred name) |
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 | | UQN | | Name: | 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole | | Formula: | C16 H12 Br2 N2 | | SMILES: | Cc1ccc(cc1Br)n2ccnc2c3ccccc3Br | | InChi: | InChI=1S/C16H12Br2N2/c1-11-6-7-12(10-15(11)18)20-9-8-19-16(20)13-4-2-3-5-14(13)17/h2-10H,1H3 | | Definition date: | 2021-03-09 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-16 | | Identifier: | 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole |
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 | | UQO | | Name: | (1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | Formula: | C24 H37 N3 O10 S2 | | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)S(=O)(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C24H37N3O10S2/c1-15(2)12-18(21(29)26-19(22(30)39(34,35)36)13-16-10-11-25-20(16)28)27-23(31)37-14-24(3,4)38(32,33)17-8-6-5-7-9-17/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,34,35,36)/t16-,18-,19-,22-/m0/s1 | | Definition date: | 2022-08-23 | | Last modified: | 2024-09-27 | | Release date: | 2022-09-21 | | Identifier: | (1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | A0G | | Name: | (2Z)-2-amino-3-hydroxyprop-2-enoic acid | | Formula: | C3 H5 N O3 | | SMILES: | C(=O)(/C(N)=C/O)O | | InChi: | InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1,5H,4H2,(H,6,7)/b2-1- | | Definition date: | 2017-06-30 | | Last modified: | 2024-09-27 | | Release date: | 2019-09-18 | | Identifier: | (2Z)-2-amino-3-hydroxyprop-2-enoic acid |
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