 | | YKS | | Name: | (1R,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | | Formula: | C28 H41 F2 N3 O8 S | | SMILES: | CC(C)CC(NC(=O)OC(Cc1ccccc1)C1CCC(F)(F)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C28H41F2N3O8S/c1-17(2)14-21(25(35)32-22(26(36)42(38,39)40)16-20-10-13-31-24(20)34)33-27(37)41-23(15-18-6-4-3-5-7-18)19-8-11-28(29,30)12-9-19/h3-7,17,19-23,26,36H,8-16H2,1-2H3,(H,31,34)(H,32,35)(H,33,37)(H,38,39,40)/t20-,21-,22-,23-,26+/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)-2-phenylethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | Z22 | | Name: | S-methyl methanesulfonothioate | | Formula: | C2 H6 O2 S2 | | SMILES: | CS[S](C)(=O)=O | | InChi: | InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3 | | Synonyms: | S-Methyl methanethiosulfonate | | Definition date: | 2009-11-18 | | Last modified: | 2024-09-27 | | Identifier: | methylsulfanylsulfonylmethane |
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 | | 3Y2 | | Name: | 2-amino-4-chloro-N-(1-{[(2E)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide | | Formula: | C16 H21 Cl N4 O2 | | SMILES: | O=C(NC1(C(=O)NCC=[N@H])CCCCC1)c2ccc(Cl)cc2N | | InChi: | InChI=1S/C16H21ClN4O2/c17-11-4-5-12(13(19)10-11)14(22)21-16(6-2-1-3-7-16)15(23)20-9-8-18/h4-5,8,10,18H,1-3,6-7,9,19H2,(H,20,23)(H,21,22)/b18-8+ | | Definition date: | 2014-12-09 | | Last modified: | 2024-09-27 | | Release date: | 2015-09-09 | | Identifier: | 2-amino-4-chloro-N-(1-{[(2E)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide |
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 | | TRO | | Name: | 2-HYDROXY-TRYPTOPHAN | | Formula: | C11 H12 N2 O3 | | SMILES: | O=C(O)C(N)Cc2c1ccccc1nc2O | | InChi: | InChI=1S/C11H12N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,8,13-14H,5,12H2,(H,15,16)/t8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-hydroxy-L-tryptophan |
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 | | VEJ | | Name: | N-(4-tert-butylphenyl)-N-[(1R)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | | Formula: | C24 H33 N3 O3 | | SMILES: | N(CCCOC)C(=O)C(N(c1ccc(cc1)C(C)(C)C)C(CC)=O)c2cnccc2 | | InChi: | InChI=1S/C24H33N3O3/c1-6-21(28)27(20-12-10-19(11-13-20)24(2,3)4)22(18-9-7-14-25-17-18)23(29)26-15-8-16-30-5/h7,9-14,17,22H,6,8,15-16H2,1-5H3,(H,26,29)/t22-/m1/s1 | | Definition date: | 2020-08-05 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-02 | | Identifier: | N-(4-tert-butylphenyl)-N-[(1R)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide |
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 | | TRQ | | Name: | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-1H-INDOL-3-YL)-PROPIONIC ACID | | Formula: | C11 H10 N2 O4 | | SMILES: | O=C(O)C(N)Cc2c1C=CC(=O)C(=O)c1nc2 | | InChi: | InChI=1S/C11H10N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13H,3,12H2,(H,16,17)/t7-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-(6,7-dioxo-6,7-dihydro-1H-indol-3-yl)-L-alanine |
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 | | YKV | | Name: | (1S,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | | Formula: | C28 H41 F2 N3 O8 S | | SMILES: | CC(C)CC(NC(=O)OC(Cc1ccccc1)C1CCC(F)(F)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C28H41F2N3O8S/c1-17(2)14-21(25(35)32-22(26(36)42(38,39)40)16-20-10-13-31-24(20)34)33-27(37)41-23(15-18-6-4-3-5-7-18)19-8-11-28(29,30)12-9-19/h3-7,17,19-23,26,36H,8-16H2,1-2H3,(H,31,34)(H,32,35)(H,33,37)(H,38,39,40)/t20-,21-,22-,23-,26-/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)-2-phenylethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | Y37 | | Name: | (1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid | | Formula: | C14 H18 F N2 O7 P | | SMILES: | C1C(C(=CC1C(O)=O)NCc2c(cnc(C)c2O)COP(O)(O)=O)F | | InChi: | InChI=1S/C14H18FN2O7P/c1-7-13(18)10(9(4-16-7)6-24-25(21,22)23)5-17-12-3-8(14(19)20)2-11(12)15/h3-4,8,11,17-18H,2,5-6H2,1H3,(H,19,20)(H2,21,22,23)/t8-,11-/m1/s1 | | Definition date: | 2021-02-01 | | Last modified: | 2024-09-27 | | Release date: | 2022-02-16 | | Identifier: | (1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid |
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 | | VEM | | Name: | N-(4-tert-butylphenyl)-N-[(1R)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | | Formula: | C23 H31 N3 O3 | | SMILES: | N(CCOC)C(=O)C(c1cccnc1)N(c2ccc(cc2)C(C)(C)C)C(=O)CC | | InChi: | InChI=1S/C23H31N3O3/c1-6-20(27)26(19-11-9-18(10-12-19)23(2,3)4)21(17-8-7-13-24-16-17)22(28)25-14-15-29-5/h7-13,16,21H,6,14-15H2,1-5H3,(H,25,28)/t21-/m1/s1 | | Definition date: | 2020-08-05 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-02 | | Identifier: | N-(4-tert-butylphenyl)-N-[(1R)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide |
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 | | X70 | | Name: | (1R,2S,5S)-N-{(2S,3R)-4-(3,3-difluoroazetidin-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: | C28 H40 F5 N5 O6 | | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCCNC3=O)C(O)C(=O)N3CC(F)(F)C3)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C | | InChi: | InChI=1S/C28H40F5N5O6/c1-25(2,3)19(36-24(44)28(31,32)33)23(43)38-10-14-16(26(14,4)5)17(38)21(41)35-15(9-13-7-6-8-34-20(13)40)18(39)22(42)37-11-27(29,30)12-37/h13-19,39H,6-12H2,1-5H3,(H,34,40)(H,35,41)(H,36,44)/t13-,14-,15-,16-,17-,18+,19+/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-difluoroazetidin-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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 | | YKY | | Name: | (1R,2S)-2-((S)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid | | Formula: | C21 H28 F N3 O8 S | | SMILES: | O=C1N=CCC1CC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1F)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C21H28FN3O8S/c1-12(2)9-16(25-21(29)33-11-14-5-3-4-6-15(14)22)19(27)24-17(20(28)34(30,31)32)10-13-7-8-23-18(13)26/h3-6,8,12-13,16-17,20,28H,7,9-11H2,1-2H3,(H,24,27)(H,25,29)(H,30,31,32)/t13-,16-,17-,20+/m0/s1 | | Definition date: | 2021-03-12 | | Last modified: | 2024-09-27 | | Release date: | 2021-03-24 | | Identifier: | (1R,2S)-2-[(N-{[(2-fluorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propane-1-sulfonic acid |
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 | | Y3A | | Name: | N-[(benzyloxy)carbonyl]glycyl-N-[(2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide | | Formula: | C22 H26 Cl N3 O5 | | SMILES: | ClCC(O)C(NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)Cc2ccccc2 | | InChi: | InChI=1S/C22H26ClN3O5/c23-12-19(27)18(11-16-7-3-1-4-8-16)26-21(29)14-24-20(28)13-25-22(30)31-15-17-9-5-2-6-10-17/h1-10,18-19,27H,11-15H2,(H,24,28)(H,25,30)(H,26,29)/t18-,19-/m0/s1 | | Synonyms: | Z-Gly-Gly-Phe-Chloromethyl ketone (bound form) | | Definition date: | 2013-01-28 | | Last modified: | 2024-09-27 | | Release date: | 2013-05-08 | | Identifier: | N-[(benzyloxy)carbonyl]glycyl-N-[(2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide |
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 | | WQF | | Name: | (2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acid | | Formula: | C12 H17 N2 O7 P | | SMILES: | Oc1c(CNC(C=C)C(=O)O)c(cnc1C)COP(=O)(O)O | | InChi: | InChI=1S/C12H17N2O7P/c1-3-10(12(16)17)14-5-9-8(6-21-22(18,19)20)4-13-7(2)11(9)15/h3-4,10,14-15H,1,5-6H2,2H3,(H,16,17)(H2,18,19,20)/t10-/m0/s1 | | Definition date: | 2022-10-12 | | Last modified: | 2024-09-27 | | Release date: | 2023-10-25 | | Identifier: | (2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acid |
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 | | SKG | | Name: | 4-methylisoleucine | | Formula: | C7 H15 N O2 | | SMILES: | CC(C)[CH](C)[CH](N)C(O)=O | | InChi: | InChI=1S/C7H15NO2/c1-4(2)5(3)6(8)7(9)10/h4-6H,8H2,1-3H3,(H,9,10)/t5-,6-/m0/s1 | | Synonyms: | 2~{S},3~{S})-2-azanyl-3,4-dimethyl-pentanoic acid | | Definition date: | 2020-03-10 | | Last modified: | 2024-09-27 | | Release date: | 2020-05-20 | | Identifier: | (2~{S},3~{S})-2-azanyl-3,4-dimethyl-pentanoic acid |
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 | | SKH | | Name: | (3~{S})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid | | Formula: | C12 H22 N2 O6 | | SMILES: | C[C](O)(CC(O)=O)CC(=O)NCCCC[CH](N)C(O)=O | | InChi: | InChI=1S/C12H22N2O6/c1-12(20,7-10(16)17)6-9(15)14-5-3-2-4-8(13)11(18)19/h8,20H,2-7,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t8-,12-/m0/s1 | | Definition date: | 2017-07-22 | | Last modified: | 2024-09-27 | | Release date: | 2017-11-29 | | Identifier: | (3~{S})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid |
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 | | VEP | | Name: | N-(4-tert-butylphenyl)-N-[(1R)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | | Formula: | C25 H33 N3 O3 | | SMILES: | N(C1CCOCC1)C(=O)C(c2cccnc2)N(c3ccc(cc3)C(C)(C)C)C(=O)CC | | InChi: | InChI=1S/C25H33N3O3/c1-5-22(29)28(21-10-8-19(9-11-21)25(2,3)4)23(18-7-6-14-26-17-18)24(30)27-20-12-15-31-16-13-20/h6-11,14,17,20,23H,5,12-13,15-16H2,1-4H3,(H,27,30)/t23-/m1/s1 | | Definition date: | 2020-08-05 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-02 | | Identifier: | N-(4-tert-butylphenyl)-N-[(1R)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide |
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 | | SKJ | | Name: | beta-methylnorleucine | | Formula: | C7 H15 N O2 | | SMILES: | CCC[CH](C)[CH](N)C(O)=O | | InChi: | InChI=1S/C7H15NO2/c1-3-4-5(2)6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6+/m1/s1 | | Synonyms: | (2~{S},3~{R})-2-azanyl-3-methyl-hexanoic acid | | Definition date: | 2020-03-10 | | Last modified: | 2024-09-27 | | Release date: | 2020-05-20 | | Identifier: | (2~{S},3~{R})-2-azanyl-3-methyl-hexanoic acid |
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 | | TRW | | Name: | TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL | | Formula: | C17 H18 N4 O2 | | SMILES: | O=CC(N)Cc2c1ccc(c(O)c1nc2)NNc3ccccc3 | | InChi: | InChI=1S/C17H18N4O2/c18-12(10-22)8-11-9-19-16-14(11)6-7-15(17(16)23)21-20-13-4-2-1-3-5-13/h1-7,9-10,12,19-21,23H,8,18H2/t12-/m0/s1 | | Synonyms: | PHENYLHYDRAZINE ADDUCT | | Definition date: | 2002-08-19 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-3-[7-hydroxy-6-(2-phenylhydrazino)-1H-indol-3-yl]propanal |
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 | | Y3G | | Name: | 5-ethynylpyrimidine-2,4(1H,3H)-dione | | Formula: | C6 H4 N2 O2 | | SMILES: | C#CC=1C(NC(NC=1)=O)=O | | InChi: | InChI=1S/C6H4N2O2/c1-2-4-3-7-6(10)8-5(4)9/h1,3H,(H2,7,8,9,10) | | Definition date: | 2021-02-01 | | Last modified: | 2024-09-27 | | Release date: | 2021-04-07 | | Identifier: | 5-ethynylpyrimidine-2,4(1H,3H)-dione |
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 | | TRX | | Name: | 6-HYDROXYTRYPTOPHAN | | Formula: | C11 H12 N2 O3 | | SMILES: | O=C(O)C(N)Cc2c1ccc(O)cc1nc2 | | InChi: | InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-4-7(14)1-2-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1 | | Definition date: | 2001-10-29 | | Last modified: | 2024-09-27 | | Identifier: | 6-hydroxy-L-tryptophan |
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 | | VES | | Name: | Pyrrolidine | | Formula: | C4 H9 N | | SMILES: | N1CCCC1 | | InChi: | InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2 | | Definition date: | 2013-04-23 | | Last modified: | 2024-09-27 | | Release date: | 2013-05-01 | | Identifier: | pyrrolidine |
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 | | VET | | Name: | [(1R,2S,4R)-2-HYDROXY-4-[(5R)-5-HYDROXY-5-METHYL-2,4-DIOXO-IMIDAZOLIDIN-1-YL]CYCLOPENTYL]METHYL DIHYDROGEN PHOSPHATE | | Formula: | C10 H17 N2 O8 P | | SMILES: | C[C]1(O)N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)C2)C(=O)NC1=O | | InChi: | InChI=1S/C10H17N2O8P/c1-10(16)8(14)11-9(15)12(10)6-2-5(7(13)3-6)4-20-21(17,18)19/h5-7,13,16H,2-4H2,1H3,(H,11,14,15)(H2,17,18,19)/t5-,6-,7+,10-/m1/s1 | | Definition date: | 2010-11-25 | | Last modified: | 2024-09-27 | | Identifier: | [(1R,2S,4R)-2-hydroxy-4-[(5R)-5-hydroxy-5-methyl-2,4-dioxo-imidazolidin-1-yl]cyclopentyl]methyl dihydrogen phosphate |
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 | | TDD | | Name: | (2R)-2-amino-3,3-dimethyl-butanoic acid | | Formula: | C6 H13 N O2 | | SMILES: | O=C(O)C(N)C(C)(C)C | | InChi: | InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m0/s1 | | Synonyms: | D-tert-leucine | | Definition date: | 2008-06-02 | | Last modified: | 2024-09-27 | | Identifier: | 3-methyl-D-valine |
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 | | SKL | | Name: | 2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide | | Formula: | C21 H14 Cl N3 O4 | | SMILES: | [O-][N+](=O)c1cc(c(Cl)cc1)C(=O)Nc1ccc(cc1)c1nc2cc(C)ccc2o1 | | InChi: | InChI=1S/C21H14ClN3O4/c1-12-2-9-19-18(10-12)24-21(29-19)13-3-5-14(6-4-13)23-20(26)16-11-15(25(27)28)7-8-17(16)22/h2-11H,1H3,(H,23,26) | | Definition date: | 2022-07-07 | | Last modified: | 2024-09-27 | | Release date: | 2022-09-07 | | Identifier: | 2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide |
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 | | W9N | | Name: | 1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one | | Formula: | C31 H33 N7 O2 | | SMILES: | Cn1cnc2cc(ccc12)Oc1ccc(cc1C)c1nn(c2ncnc(C)c21)C1CC2CCC(C1)N2C(=O)CC | | InChi: | InChI=1S/C31H33N7O2/c1-5-28(39)37-21-7-8-22(37)14-23(13-21)38-31-29(19(3)32-16-33-31)30(35-38)20-6-11-27(18(2)12-20)40-24-9-10-26-25(15-24)34-17-36(26)4/h6,9-12,15-17,21-23H,5,7-8,13-14H2,1-4H3/t21-,22+,23+ | | Definition date: | 2023-09-27 | | Last modified: | 2024-09-27 | | Release date: | 2024-06-12 | | Identifier: | 1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one |
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