| Y2W | Name: | [(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid | Formula: | C7 H15 N O6 S | SMILES: | N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1C[S](O)(=O)=O | InChi: | InChI=1S/C7H15NO6S/c8-4-1-5(9)7(11)6(10)3(4)2-15(12,13)14/h3-7,9-11H,1-2,8H2,(H,12,13,14)/t3-,4+,5-,6+,7+/m0/s1 | Definition date: | 2023-11-16 | Last modified: | 2024-09-27 | Release date: | 2024-05-08 | Identifier: | [(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid |
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| UJR | Name: | (2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal | Formula: | C7 H8 I N3 O S | SMILES: | N[CH](CSc1ncc(I)cn1)C=O | InChi: | InChI=1S/C7H8IN3OS/c8-5-1-10-7(11-2-5)13-4-6(9)3-12/h1-3,6H,4,9H2/t6-/m1/s1 | Synonyms: | arylated cysteine | Definition date: | 2023-02-06 | Last modified: | 2024-09-27 | Release date: | 2023-12-13 | Identifier: | (2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal |
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| SY2 | Name: | N-{[(1S)-2-methyl-1-{[(5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine | Formula: | C24 H41 N5 O6 | SMILES: | O=C(O)C(NC(=O)NC(C(=O)NC1C(=O)NC(C=CC(=O)NCCCC1)C(C)C)C(C)C)C(C)C | InChi: | InChI=1S/C24H41N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h10-11,13-17,19-20H,7-9,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/t16-,17+,19+,20+/m1/s1 | Synonyms: | Syringolin B | Definition date: | 2009-03-30 | Last modified: | 2024-09-27 | Identifier: | N-{[(1S)-2-methyl-1-{[(3E,5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine |
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| Y2Y | Name: | (3S,4R)-3-amino-4-hydroxyheptanedioic acid | Formula: | C7 H13 N O5 | SMILES: | NC(CC(O)=O)C(CCC(=O)O)O | InChi: | InChI=1S/C7H13NO5/c8-4(3-7(12)13)5(9)1-2-6(10)11/h4-5,9H,1-3,8H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1 | Definition date: | 2020-06-02 | Last modified: | 2024-09-27 | Release date: | 2021-06-02 | Identifier: | (3S,4R)-3-amino-4-hydroxyheptanedioic acid |
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| VSZ | Name: | Cystargolide A (bound) | Formula: | C18 H32 N2 O6 | SMILES: | CC[CH](C)[CH](NC(=O)[CH](NC(=O)[CH](O)[CH](C=O)C(C)C)C(C)C)C(O)=O | InChi: | InChI=1S/C18H32N2O6/c1-7-11(6)14(18(25)26)20-16(23)13(10(4)5)19-17(24)15(22)12(8-21)9(2)3/h8-15,22H,7H2,1-6H3,(H,19,24)(H,20,23)(H,25,26)/t11-,12-,13-,14-,15+/m0/s1 | Synonyms: | (2S,3S)-2-[[(2S)-2-[[(2R,3S)-3-methanoyl-4-methyl-2-oxidanyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid | Definition date: | 2023-03-31 | Last modified: | 2024-09-27 | Release date: | 2023-12-06 | Identifier: | (2~{S},3~{S})-2-[[(2~{S})-2-[[(2~{R},3~{S})-3-methanoyl-4-methyl-2-oxidanyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid |
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| YKM | Name: | (1R,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | Formula: | C22 H37 F2 N3 O8 S | SMILES: | CC(C)CC(NC(=O)OC(C)C1CCC(F)(F)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C22H37F2N3O8S/c1-12(2)10-16(27-21(31)35-13(3)14-4-7-22(23,24)8-5-14)19(29)26-17(20(30)36(32,33)34)11-15-6-9-25-18(15)28/h12-17,20,30H,4-11H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t13-,15-,16-,17-,20+/m0/s1 | Definition date: | 2021-03-11 | Last modified: | 2024-09-27 | Release date: | 2021-03-24 | Identifier: | (1R,2S)-2-[(N-{[(1S)-1-(4,4-difluorocyclohexyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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| U6A | Name: | N-carboxy-L-threonine | Formula: | C5 H9 N O5 | SMILES: | C(NC(C(C)O)C(=O)O)(O)=O | InChi: | InChI=1S/C5H9NO5/c1-2(7)3(4(8)9)6-5(10)11/h2-3,6-7H,1H3,(H,8,9)(H,10,11)/t2-,3+/m1/s1 | Definition date: | 2020-04-27 | Last modified: | 2024-09-27 | Release date: | 2020-09-23 | Identifier: | N-carboxy-L-threonine |
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| ZNY | Name: | (4R)-4-ethoxy-L-proline | Formula: | C7 H13 N O3 | SMILES: | CCOC1CC(NC1)C(=O)O | InChi: | InChI=1S/C7H13NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1 | Definition date: | 2021-05-12 | Last modified: | 2024-09-27 | Release date: | 2022-03-02 | Identifier: | (4R)-4-ethoxy-L-proline |
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| UY7 | Name: | (4S)-4-hydroxy-D-proline | Formula: | C5 H9 N O3 | SMILES: | C1C(O)CNC1C(O)=O | InChi: | InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1 | Definition date: | 2020-06-04 | Last modified: | 2024-09-27 | Release date: | 2020-12-30 | Identifier: | (4S)-4-hydroxy-D-proline |
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| TCX | Name: | ethylphosphoramidic acid | Formula: | C2 H8 N O3 P | SMILES: | O=P(O)(O)NCC | InChi: | InChI=1S/C2H8NO3P/c1-2-3-7(4,5)6/h2H2,1H3,(H3,3,4,5,6) | Definition date: | 2009-05-12 | Last modified: | 2024-09-27 | Identifier: | ethylphosphoramidic acid |
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| U6B | Name: | 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE | Formula: | C22 H24 N4 O2 | SMILES: | O=C(NC(C=[N@H])Cc2ccc(c1ccc(C#N)cc1)cc2)C3(N)CCOCC3 | InChi: | InChI=1S/C22H24N4O2/c23-14-17-3-7-19(8-4-17)18-5-1-16(2-6-18)13-20(15-24)26-21(27)22(25)9-11-28-12-10-22/h1-8,15,20,24H,9-13,25H2,(H,26,27)/b24-15+/t20-/m0/s1 | Definition date: | 2013-10-31 | Last modified: | 2024-09-27 | Release date: | 2014-03-19 | Identifier: | 4-amino-N-[(2S,3E)-1-(4'-cyanobiphenyl-4-yl)-3-iminopropan-2-yl]tetrahydro-2H-pyran-4-carboxamide |
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| UYA | Name: | (4R)-4-hydroxy-D-proline | Formula: | C5 H9 N O3 | SMILES: | N1CC(CC1C(O)=O)O | InChi: | InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1 | Definition date: | 2020-06-04 | Last modified: | 2024-09-27 | Release date: | 2020-12-30 | Identifier: | (4R)-4-hydroxy-D-proline |
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| S4P | Name: | Dihydrogen tetrasulfide | Formula: | H2 S4 | SMILES: | SSSS | InChi: | InChI=1S/H2S4/c1-3-4-2/h1-2H | Synonyms: | Tetrasulfane | Definition date: | 2016-06-10 | Last modified: | 2024-09-27 | Release date: | 2018-11-21 |
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| VEE | Name: | (1R,2S,3R,4S,5R,6R)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol | Formula: | C15 H30 N4 O4 | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)C[CH]1NCCCCCCCCN=[N+]=[N-] | InChi: | InChI=1S/C15H30N4O4/c16-19-18-8-6-4-2-1-3-5-7-17-12-9-13(21)15(23)14(22)11(12)10-20/h11-15,17,20-23H,1-10H2/t11-,12-,13+,14+,15+/m0/s1 | Synonyms: | N-alkyl mannocyclophellitol aziridine | Definition date: | 2021-05-11 | Last modified: | 2024-09-27 | Release date: | 2022-02-02 | Identifier: | (1~{R},2~{R},3~{R},4~{R},5~{S})-5-(8-azidooctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol |
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| X6T | Name: | (1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C30 H46 F3 N5 O6 | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCCNC3=O)C(O)C(=O)N3CC(C)(C)C3)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C | InChi: | InChI=1S/C30H46F3N5O6/c1-27(2,3)21(36-26(44)30(31,32)33)25(43)38-12-16-18(29(16,6)7)19(38)23(41)35-17(11-15-9-8-10-34-22(15)40)20(39)24(42)37-13-28(4,5)14-37/h15-21,39H,8-14H2,1-7H3,(H,34,40)(H,35,41)(H,36,44)/t15-,16-,17-,18-,19-,20+,21+/m0/s1 | Definition date: | 2022-11-02 | Last modified: | 2024-09-27 | Release date: | 2023-10-11 | Identifier: | (1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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| YKP | Name: | (1S,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | Formula: | C22 H37 F2 N3 O8 S | SMILES: | CC(C)CC(NC(=O)OC(C)C1CCC(F)(F)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C22H37F2N3O8S/c1-12(2)10-16(27-21(31)35-13(3)14-4-7-22(23,24)8-5-14)19(29)26-17(20(30)36(32,33)34)11-15-6-9-25-18(15)28/h12-17,20,30H,4-11H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t13-,15-,16-,17-,20-/m0/s1 | Definition date: | 2021-03-11 | Last modified: | 2024-09-27 | Release date: | 2021-03-24 | Identifier: | (1S,2S)-2-[(N-{[(1S)-1-(4,4-difluorocyclohexyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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| TRL | Name: | {1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO-PYRROLIDINE-1-CARBONYL]-2-METHYL-PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER | Formula: | C19 H35 N3 O6 S | SMILES: | O=C(N1CCC(NS(=O)(=O)C)C1C(C=O)CC)C(NC(=O)OC(C)(C)C)C(C)C | InChi: | InChI=1S/C19H35N3O6S/c1-8-13(11-23)16-14(21-29(7,26)27)9-10-22(16)17(24)15(12(2)3)20-18(25)28-19(4,5)6/h11-16,21H,8-10H2,1-7H3,(H,20,25)/t13-,14+,15+,16-/m1/s1 | Synonyms: | GW472467X | Definition date: | 2002-11-01 | Last modified: | 2024-09-27 | Identifier: | tert-butyl [(1S)-1-({(2R,3S)-2-[(1S)-1-formylpropyl]-3-[(methylsulfonyl)amino]pyrrolidin-1-yl}carbonyl)-2-methylpropyl]carbamate |
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| VEF | Name: | (3S)-3-azanyl-2,2-bis(oxidanyl)butanoic acid | Formula: | C4 H9 N O4 | SMILES: | C[CH](N)C(O)(O)C(O)=O | InChi: | InChI=1S/C4H9NO4/c1-2(5)4(8,9)3(6)7/h2,8-9H,5H2,1H3,(H,6,7)/t2-/m0/s1 | Synonyms: | (3S)-3-azanyl-2-oxidanylidene-butanoic acid (precursor) | Definition date: | 2023-03-03 | Last modified: | 2024-09-27 | Release date: | 2023-07-19 | Identifier: | (3~{S})-3-azanyl-2,2-bis(oxidanyl)butanoic acid |
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| ZO1 | Name: | 3-(trifluoromethyl)benzaldehyde | Formula: | C8 H5 F3 O2 | SMILES: | FC(F)(F)c1cccc(C=O)c1 | InChi: | InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) | Definition date: | 2021-05-12 | Last modified: | 2024-09-27 | Release date: | 2022-03-02 | Identifier: | 3-(trifluoromethyl)benzaldehyde |
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| SY8 | Name: | 5-azanylpentan-2-one | Formula: | C5 H11 N O | SMILES: | CC(=O)CCCN | InChi: | InChI=1S/C5H11NO/c1-5(7)3-2-4-6/h2-4,6H2,1H3 | Definition date: | 2020-12-04 | Last modified: | 2024-09-27 | Release date: | 2021-02-10 | Identifier: | 5-azanylpentan-2-one |
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| 3Y0 | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R)-3-oxidanyl-5-sulfanyl-4-tridecoxy-oxolan-2-yl]methyl hydrogen phosphate | Formula: | C28 H49 N5 O13 P2 S | SMILES: | O=P(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)(O)OP(=O)(O)OCC4OC(S)C(OCCCCCCCCCCCCC)C4O | InChi: | InChI=1S/C28H49N5O13P2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-41-24-22(35)19(45-28(24)49)15-43-48(39,40)46-47(37,38)42-14-18-21(34)23(36)27(44-18)33-17-32-20-25(29)30-16-31-26(20)33/h16-19,21-24,27-28,34-36,49H,2-15H2,1H3,(H,37,38)(H,39,40)(H2,29,30,31)/t18-,19-,21-,22-,23-,24-,27-,28-/m1/s1 | Definition date: | 2014-12-09 | Last modified: | 2024-09-27 | Release date: | 2016-01-13 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-3-hydroxy-5-sulfanyl-4-(tridecyloxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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| Y33 | Name: | (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid | Formula: | C17 H27 N3 O6 S | SMILES: | CC1(CC(SC2CC(NC2)C(=O)N(C)C)=C(N1)C(=O)O)C(C(O)C)C(=O)O | InChi: | InChI=1S/C17H27N3O6S/c1-8(21)12(15(23)24)17(2)6-11(13(19-17)16(25)26)27-9-5-10(18-7-9)14(22)20(3)4/h8-10,12,18-19,21H,5-7H2,1-4H3,(H,23,24)(H,25,26)/t8-,9+,10+,12+,17-/m1/s1 | Definition date: | 2023-01-03 | Last modified: | 2024-09-27 | Release date: | 2023-10-11 | Identifier: | (5R)-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
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| VEG | Name: | ethyl N-[(2R)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate | Formula: | C25 H33 N3 O4 | SMILES: | N(c1ccc(C(C)(C)C)cc1)(C(C(NCCC(OCC)=O)=O)c2cnccc2)C(=O)CC | InChi: | InChI=1S/C25H33N3O4/c1-6-21(29)28(20-12-10-19(11-13-20)25(3,4)5)23(18-9-8-15-26-17-18)24(31)27-16-14-22(30)32-7-2/h8-13,15,17,23H,6-7,14,16H2,1-5H3,(H,27,31)/t23-/m1/s1 | Definition date: | 2020-08-05 | Last modified: | 2024-09-27 | Release date: | 2020-12-02 | Identifier: | ethyl N-[(2R)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate |
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| TRM | Name: | 1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACID | Formula: | C8 H6 N2 O2 | SMILES: | O=C(O)c2nc1ccccc1n2 | InChi: | InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12) | Definition date: | 2000-09-12 | Last modified: | 2024-09-27 | Identifier: | 1H-benzimidazole-2-carboxylic acid |
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| TRN | Name: | NZ2-TRYPTOPHAN | Formula: | C10 H11 N3 O2 | SMILES: | O=C(O)C(N)Cc2c1cccnc1nc2 | InChi: | InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-L-alanine |
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