 | | 7YZ | | Name: | N-{[(3-chlorophenyl)methoxy]carbonyl}-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | | Formula: | C29 H43 Cl N4 O6 | | SMILES: | CC(C)C(NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)CO | | InChi: | InChI=1S/C29H43ClN4O6/c1-18(2)25(34-29(39)40-17-20-9-6-10-22(30)13-20)28(38)33-24(14-19-7-4-3-5-8-19)27(37)32-23(16-35)15-21-11-12-31-26(21)36/h6,9-10,13,18-19,21,23-25,35H,3-5,7-8,11-12,14-17H2,1-2H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t21-,23-,24-,25-/m0/s1 | | Definition date: | 2021-08-23 | | Last modified: | 2024-09-27 | | Release date: | 2022-07-20 | | Identifier: | N-{[(3-chlorophenyl)methoxy]carbonyl}-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide |
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 | | 3TR | | Name: | 3-AMINO-1,2,4-TRIAZOLE | | Formula: | C2 H4 N4 | | SMILES: | n1c(nnc1)N | | InChi: | InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6) | | Synonyms: | AMITROLE | | Definition date: | 2004-06-09 | | Last modified: | 2024-09-27 | | Identifier: | 1H-1,2,4-triazol-3-amine |
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 | | 3U0 | | Name: | 2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid | | Formula: | C10 H13 N3 O2 | | SMILES: | NC(=N)NCc1ccc(CC(O)=O)cc1 | | InChi: | InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-7(2-4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13) | | Synonyms: | 2-[4-[(diaminomethylideneamino)methyl]phenyl]acetic acid | | Definition date: | 2014-10-24 | | Last modified: | 2024-09-27 | | Release date: | 2022-10-19 | | Identifier: | 2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid |
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 | | 3U2 | | Name: | N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide | | Formula: | C14 H19 N O4 | | SMILES: | O=C(NC1C(C(O)C(O)C(O)C1)C)c2ccccc2 | | InChi: | InChI=1S/C14H19NO4/c1-8-10(7-11(16)13(18)12(8)17)15-14(19)9-5-3-2-4-6-9/h2-6,8,10-13,16-18H,7H2,1H3,(H,15,19)/t8-,10+,11-,12-,13+/m1/s1 | | Definition date: | 2014-10-29 | | Last modified: | 2024-09-27 | | Release date: | 2014-11-12 | | Identifier: | N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide |
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 | | 3U3 | | Name: | N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide | | Formula: | C9 H17 N O4 | | SMILES: | O=C(NC1C(C(O)C(O)C(O)C1)C)C | | InChi: | InChI=1S/C9H17NO4/c1-4-6(10-5(2)11)3-7(12)9(14)8(4)13/h4,6-9,12-14H,3H2,1-2H3,(H,10,11)/t4-,6+,7-,8-,9+/m1/s1 | | Definition date: | 2014-10-29 | | Last modified: | 2024-09-27 | | Release date: | 2014-11-05 | | Identifier: | N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide |
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 | | 7ZS | | Name: | 3-methanoyl-2-oxidanyl-benzoic acid | | Formula: | C8 H6 O4 | | SMILES: | OC(=O)c1cccc(C=O)c1O | | InChi: | InChI=1S/C8H6O4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H,(H,11,12) | | Definition date: | 2016-12-13 | | Last modified: | 2024-09-27 | | Release date: | 2017-02-08 | | Identifier: | 3-methanoyl-2-oxidanyl-benzoic acid |
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 | | 3U7 | | Name: | 4-{2,3-dichloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid | | Formula: | C16 H16 Cl2 N2 O4 | | SMILES: | O=C(c1ccc(OCCCC(=O)O)c(Cl)c1Cl)CCc2nccn2 | | InChi: | InChI=1S/C16H16Cl2N2O4/c17-15-10(11(21)4-6-13-19-7-8-20-13)3-5-12(16(15)18)24-9-1-2-14(22)23/h3,5,7-8H,1-2,4,6,9H2,(H,19,20)(H,22,23) | | Definition date: | 2014-10-30 | | Last modified: | 2024-09-27 | | Release date: | 2015-05-20 | | Identifier: | 4-{2,3-dichloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid |
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 | | 3U8 | | Name: | 4-{2-chloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid | | Formula: | C16 H17 Cl N2 O4 | | SMILES: | O=C(c1ccc(OCCCC(=O)O)c(Cl)c1)CCc2nccn2 | | InChi: | InChI=1S/C16H17ClN2O4/c17-12-10-11(13(20)4-6-15-18-7-8-19-15)3-5-14(12)23-9-1-2-16(21)22/h3,5,7-8,10H,1-2,4,6,9H2,(H,18,19)(H,21,22) | | Definition date: | 2014-10-30 | | Last modified: | 2024-09-27 | | Release date: | 2015-05-20 | | Identifier: | 4-{2-chloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid |
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 | | 3UB | | Name: | propan-2-yl hydrogen (S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate | | Formula: | C13 H20 N O5 P | | SMILES: | O=P(OC(C)C)(O)C(NC(=O)OCc1ccccc1)C | | InChi: | InChI=1S/C13H20NO5P/c1-10(2)19-20(16,17)11(3)14-13(15)18-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)(H,16,17)/t11-/m1/s1 | | Definition date: | 2011-10-31 | | Last modified: | 2024-09-27 | | Identifier: | propan-2-yl hydrogen (S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate |
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 | | 800 | | Name: | N-(1H-indole-2-carbonyl)-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Formula: | C27 H39 N5 O5 | | SMILES: | CC(C)C(NC(=O)c1cc2ccccc2[NH]1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)CO | | InChi: | InChI=1S/C27H39N5O5/c1-15(2)11-21(25(35)29-19(14-33)12-18-9-10-28-24(18)34)31-27(37)23(16(3)4)32-26(36)22-13-17-7-5-6-8-20(17)30-22/h5-8,13,15-16,18-19,21,23,30,33H,9-12,14H2,1-4H3,(H,28,34)(H,29,35)(H,31,37)(H,32,36)/t18-,19-,21-,23-/m0/s1 | | Definition date: | 2021-08-24 | | Last modified: | 2024-09-27 | | Release date: | 2022-07-20 | | Identifier: | N-(1H-indole-2-carbonyl)-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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 | | 3UM | | Name: | (5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid | | Formula: | C20 H30 O4 | | SMILES: | O=C(O)C3(C)C2(O)C(C1CC=C(/C=C)C(C1CC2O)C)(C)CCC3 | | InChi: | InChI=1S/C20H30O4/c1-5-13-7-8-15-14(12(13)2)11-16(21)20(24)18(15,3)9-6-10-19(20,4)17(22)23/h5,7,12,14-16,21,24H,1,6,8-11H2,2-4H3,(H,22,23)/t12-,14-,15-,16+,18+,19+,20-/m0/s1 | | Definition date: | 2014-11-05 | | Last modified: | 2024-09-27 | | Release date: | 2015-01-14 | | Identifier: | (5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid |
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 | | 3V2 | | Name: | [(1R)-1-aminopropyl]phosphonic acid | | Formula: | C3 H10 N O3 P | | SMILES: | O=P(O)(O)C(N)CC | | InChi: | InChI=1S/C3H10NO3P/c1-2-3(4)8(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/t3-/m1/s1 | | Definition date: | 2014-11-09 | | Last modified: | 2024-09-27 | | Release date: | 2015-02-11 | | Identifier: | [(1R)-1-aminopropyl]phosphonic acid |
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 | | 3V3 | | Name: | 1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid | | Formula: | C11 H23 N O6 | | SMILES: | O=C(O)CCOCCOCCOCCOCCN | | InChi: | InChI=1S/C11H23NO6/c12-2-4-16-6-8-18-10-9-17-7-5-15-3-1-11(13)14/h1-10,12H2,(H,13,14) | | Definition date: | 2014-11-09 | | Last modified: | 2024-09-27 | | Release date: | 2015-02-11 | | Identifier: | 1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid |
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 | | 3V5 | | Name: | (3S,5S)-3-({[(aminomethyl)amino]methyl}sulfanyl)-5-[(2S)-1,3-dioxobutan-2-yl]-L-proline | | Formula: | C11 H19 N3 O4 S | | SMILES: | O=C(C(C=O)C1NC(C(=O)O)C(SCNCN)C1)C | | InChi: | InChI=1S/C11H19N3O4S/c1-6(16)7(3-15)8-2-9(19-5-13-4-12)10(14-8)11(17)18/h3,7-10,13-14H,2,4-5,12H2,1H3,(H,17,18)/t7-,8-,9-,10-/m0/s1 | | Synonyms: | olivanic acid analog, open from | | Definition date: | 2014-11-05 | | Last modified: | 2024-09-27 | | Release date: | 2015-07-29 | | Identifier: | (3S,5S)-3-({[(aminomethyl)amino]methyl}sulfanyl)-5-[(2S)-1,3-dioxobutan-2-yl]-L-proline |
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 | | 3V7 | | Name: | 3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]propan-1-ol | | Formula: | C6 H11 N3 O2 | | SMILES: | OCCCn1nnc(c1)CO | | InChi: | InChI=1S/C6H11N3O2/c10-3-1-2-9-4-6(5-11)7-8-9/h4,10-11H,1-3,5H2 | | Definition date: | 2014-11-11 | | Last modified: | 2024-09-27 | | Release date: | 2015-03-04 | | Identifier: | 3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]propan-1-ol |
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 | | 3V8 | | Name: | (4S)-4-[4-(2-carboxyethyl)-1H-1,2,3-triazol-1-yl]-L-proline | | Formula: | C10 H14 N4 O4 | | SMILES: | O=C(O)C2NCC(n1nnc(c1)CCC(=O)O)C2 | | InChi: | InChI=1S/C10H14N4O4/c15-9(16)2-1-6-5-14(13-12-6)7-3-8(10(17)18)11-4-7/h5,7-8,11H,1-4H2,(H,15,16)(H,17,18)/t7-,8-/m0/s1 | | Definition date: | 2014-11-12 | | Last modified: | 2024-09-27 | | Release date: | 2015-03-04 | | Identifier: | (4S)-4-[4-(2-carboxyethyl)-1H-1,2,3-triazol-1-yl]-L-proline |
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 | | 80U | | Name: | 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one | | Formula: | C24 H25 Cl N8 O2 | | SMILES: | Cn1ccnc1COc2ccc(cc2Cl)c3nn([CH]4CCCN(C4)C(=O)C=C)c5ncnc(N)c35 | | InChi: | InChI=1S/C24H25ClN8O2/c1-3-20(34)32-9-4-5-16(12-32)33-24-21(23(26)28-14-29-24)22(30-33)15-6-7-18(17(25)11-15)35-13-19-27-8-10-31(19)2/h3,6-8,10-11,14,16H,1,4-5,9,12-13H2,2H3,(H2,26,28,29)/t16-/m1/s1 | | Definition date: | 2017-03-10 | | Last modified: | 2024-09-27 | | Release date: | 2017-04-02 | | Identifier: | 1-[(3~{R})-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one |
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 | | 80V | | Name: | 4-[6-({4-[(fluorosulfonyl)oxy]phenyl}ethynyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2H)-yl]-4-oxobutanoic acid | | Formula: | C23 H22 F N O6 S | | SMILES: | FS(=O)(=O)Oc1ccc(cc1)C#Cc1ccc2c(c1)C(C)(C)CCN2C(=O)CCC(=O)O | | InChi: | InChI=1S/C23H22FNO6S/c1-23(2)13-14-25(21(26)11-12-22(27)28)20-10-7-17(15-19(20)23)4-3-16-5-8-18(9-6-16)31-32(24,29)30/h5-10,15H,11-14H2,1-2H3,(H,27,28) | | Definition date: | 2021-08-25 | | Last modified: | 2024-09-27 | | Release date: | 2021-12-15 | | Identifier: | 4-[6-({4-[(fluorosulfonyl)oxy]phenyl}ethynyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2H)-yl]-4-oxobutanoic acid |
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 | | 80Y | | Name: | 2-azanylethyl [(2R,3S,4S,5S,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hydrogen phosphate | | Formula: | C8 H18 N O9 P | | SMILES: | NCCO[P](O)(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C8H18NO9P/c9-1-2-16-19(14,15)17-3-4-5(10)6(11)7(12)8(13)18-4/h4-8,10-13H,1-3,9H2,(H,14,15)/t4-,5-,6+,7+,8+/m1/s1 | | Definition date: | 2023-03-15 | | Last modified: | 2024-09-27 | | Release date: | 2023-08-16 | | Identifier: | 2-azanylethyl [(2~{R},3~{S},4~{S},5~{S},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hydrogen phosphate |
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 | | 3VF | | Name: | N-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide | | Formula: | C24 H20 Cl2 N4 O3 | | SMILES: | N#Cc1nc(ccn1)CNC(=O)c3ccc(OC)c(C(=O)C(c2cc(Cl)cc(Cl)c2)(C)C)c3 | | InChi: | InChI=1S/C24H20Cl2N4O3/c1-24(2,15-9-16(25)11-17(26)10-15)22(31)19-8-14(4-5-20(19)33-3)23(32)29-13-18-6-7-28-21(12-27)30-18/h4-11H,13H2,1-3H3,(H,29,32) | | Definition date: | 2014-11-13 | | Last modified: | 2024-09-27 | | Release date: | 2015-01-14 | | Identifier: | N-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide |
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 | | 3VJ | | Name: | 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide | | Formula: | C22 H23 Cl2 N3 O4 | | SMILES: | Clc1cc(cc(Cl)c1)C(C(=O)c2cc(C(=O)NCC(=O)NCC=[N@H])ccc2OC)(C)C | | InChi: | InChI=1S/C22H23Cl2N3O4/c1-22(2,14-9-15(23)11-16(24)10-14)20(29)17-8-13(4-5-18(17)31-3)21(30)27-12-19(28)26-7-6-25/h4-6,8-11,25H,7,12H2,1-3H3,(H,26,28)(H,27,30)/b25-6- | | Definition date: | 2014-11-14 | | Last modified: | 2024-09-27 | | Release date: | 2015-01-14 | | Identifier: | 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide |
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 | | 3VK | | Name: | N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide | | Formula: | C22 H34 Cl2 N4 O5 S | | SMILES: | Clc1cc(cc(Cl)c1)C(C(=O)NC(C(=O)NCC(=O)NCCCS(=O)(=O)C)C(C)(C)C)NCC | | InChi: | InChI=1S/C22H34Cl2N4O5S/c1-6-25-18(14-10-15(23)12-16(24)11-14)20(30)28-19(22(2,3)4)21(31)27-13-17(29)26-8-7-9-34(5,32)33/h10-12,18-19,25H,6-9,13H2,1-5H3,(H,26,29)(H,27,31)(H,28,30)/t18-,19+/m0/s1 | | Definition date: | 2014-11-14 | | Last modified: | 2024-09-27 | | Release date: | 2015-01-14 | | Identifier: | N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide |
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 | | 816 | | Name: | 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one | | Formula: | C26 H26 Cl N7 O2 | | SMILES: | Cc1cccc(COc2ccc(cc2Cl)c3nn([CH]4CCCN(C4)C(=O)C=C)c5ncnc(N)c35)n1 | | InChi: | InChI=1S/C26H26ClN7O2/c1-3-22(35)33-11-5-8-19(13-33)34-26-23(25(28)29-15-30-26)24(32-34)17-9-10-21(20(27)12-17)36-14-18-7-4-6-16(2)31-18/h3-4,6-7,9-10,12,15,19H,1,5,8,11,13-14H2,2H3,(H2,28,29,30)/t19-/m1/s1 | | Definition date: | 2017-03-15 | | Last modified: | 2024-09-27 | | Release date: | 2017-09-06 | | Identifier: | 1-[(3~{R})-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one |
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 | | 3VT | | Name: | [(3R)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid | | Formula: | C15 H15 B N2 O5 | | SMILES: | O=C(O)CC3OB(O)c2cc(Oc1nccnc1)c(c(c23)C)C | | InChi: | InChI=1S/C15H15BN2O5/c1-8-9(2)15-10(16(21)23-12(15)6-14(19)20)5-11(8)22-13-7-17-3-4-18-13/h3-5,7,12,21H,6H2,1-2H3,(H,19,20)/t12-/m1/s1 | | Definition date: | 2014-11-19 | | Last modified: | 2024-09-27 | | Release date: | 2015-08-05 | | Identifier: | [(3R)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid |
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 | | 3VU | | Name: | {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid | | Formula: | C13 H14 B N3 O5 S | | SMILES: | O=C(O)CC3OB(O)c2cc(Oc1nc(ns1)N)c(c(c23)C)C | | InChi: | InChI=1S/C13H14BN3O5S/c1-5-6(2)11-7(14(20)22-9(11)4-10(18)19)3-8(5)21-13-16-12(15)17-23-13/h3,9,20H,4H2,1-2H3,(H2,15,17)(H,18,19)/t9-/m1/s1 | | Definition date: | 2014-11-19 | | Last modified: | 2024-09-27 | | Release date: | 2015-08-05 | | Identifier: | {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid |
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