 | | 5N9 | | Name: | ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine | | Formula: | C20 H18 Cl F3 N4 O | | SMILES: | CC(C)Oc1ccc(cc1Cl)c2ncc(CNc3ccnc(c3)C(F)(F)F)cn2 | | InChi: | InChI=1S/C20H18ClF3N4O/c1-12(2)29-17-4-3-14(7-16(17)21)19-27-10-13(11-28-19)9-26-15-5-6-25-18(8-15)20(22,23)24/h3-8,10-12H,9H2,1-2H3,(H,25,26) | | Definition date: | 2021-07-13 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine |
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 | | NH0 | | Name: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | | Formula: | C30 H37 N3 O3 S | | SMILES: | CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCc1ccncc1 | | InChi: | InChI=1S/C30H37N3O3S/c1-30(2,3)36-29(35)33-26(20-24-10-6-4-7-11-24)22-37-27(21-25-12-8-5-9-13-25)28(34)32-19-16-23-14-17-31-18-15-23/h4-15,17-18,26-27H,16,19-22H2,1-3H3,(H,32,34)(H,33,35)/t26-,27+/m0/s1 | | Definition date: | 2022-04-04 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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 | | NI6 | | Name: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-4-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | | Formula: | C31 H39 N3 O3 S | | SMILES: | CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1ccncc1 | | InChi: | InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(21-25-11-6-4-7-12-25)23-38-28(22-26-13-8-5-9-14-26)29(35)33-18-10-15-24-16-19-32-20-17-24/h4-9,11-14,16-17,19-20,27-28H,10,15,18,21-23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28+/m0/s1 | | Definition date: | 2022-04-04 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-4-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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 | | NJ0 | | Name: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[2-(pyridin-3-yl)acetamido]propyl}sulfanyl)-N-[(pyridin-3-yl)methyl]propanamide | | Formula: | C31 H32 N4 O2 S | | SMILES: | O=C(Cc1cccnc1)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCc1cccnc1 | | InChi: | InChI=1S/C31H32N4O2S/c36-30(19-26-13-7-15-32-20-26)35-28(17-24-9-3-1-4-10-24)23-38-29(18-25-11-5-2-6-12-25)31(37)34-22-27-14-8-16-33-21-27/h1-16,20-21,28-29H,17-19,22-23H2,(H,34,37)(H,35,36)/t28-,29+/m0/s1 | | Definition date: | 2022-04-04 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[2-(pyridin-3-yl)acetamido]propyl}sulfanyl)-N-[(pyridin-3-yl)methyl]propanamide |
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 | | NXR | | Name: | N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide | | Formula: | C32 H34 N4 O2 S | | SMILES: | O=C(NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1cccnc1)c1cccnc1 | | InChi: | InChI=1S/C32H34N4O2S/c37-31(28-16-9-18-34-23-28)36-29(20-25-10-3-1-4-11-25)24-39-30(21-26-12-5-2-6-13-26)32(38)35-19-8-15-27-14-7-17-33-22-27/h1-7,9-14,16-18,22-23,29-30H,8,15,19-21,24H2,(H,35,38)(H,36,37)/t29-,30+/m0/s1 | | Definition date: | 2022-04-13 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide |
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 | | NJO | | Name: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide | | Formula: | C33 H36 N4 O2 S | | SMILES: | O=C(CCc1cccnc1)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCc1cccnc1 | | InChi: | InChI=1S/C33H36N4O2S/c38-32(16-15-28-13-7-18-34-23-28)37-30(21-26-9-3-1-4-10-26)25-40-31(22-27-11-5-2-6-12-27)33(39)36-20-17-29-14-8-19-35-24-29/h1-14,18-19,23-24,30-31H,15-17,20-22,25H2,(H,36,39)(H,37,38)/t30-,31+/m0/s1 | | Definition date: | 2022-04-04 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide |
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 | | NYF | | Name: | N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide | | Formula: | C34 H37 N5 O3 S | | SMILES: | O=C(NCC(=O)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1cccnc1)c1cccnc1 | | InChi: | InChI=1S/C34H37N5O3S/c40-32(24-38-33(41)29-16-9-18-36-23-29)39-30(20-26-10-3-1-4-11-26)25-43-31(21-27-12-5-2-6-13-27)34(42)37-19-8-15-28-14-7-17-35-22-28/h1-7,9-14,16-18,22-23,30-31H,8,15,19-21,24-25H2,(H,37,42)(H,38,41)(H,39,40)/t30-,31+/m0/s1 | | Definition date: | 2022-04-13 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide |
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 | | T0K | | Name: | (2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide | | Formula: | C33 H36 N4 O2 S | | SMILES: | O=C(CCc1cccnc1)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCc1cccnc1 | | InChi: | InChI=1S/C33H36N4O2S/c38-32(16-15-28-13-7-18-34-23-28)37-30(21-26-9-3-1-4-10-26)25-40-31(22-27-11-5-2-6-12-27)33(39)36-20-17-29-14-8-19-35-24-29/h1-14,18-19,23-24,30-31H,15-17,20-22,25H2,(H,36,39)(H,37,38)/t30-,31-/m0/s1 | | Definition date: | 2022-07-14 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide |
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 | | QCR | | Name: | (3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol | | Formula: | C20 H25 F N8 O | | SMILES: | CC(C)c1nnc(NC)c2cnc(cc12)Nc1nc(ncc1)N1CCC(O)C(F)C1 | | InChi: | InChI=1S/C20H25FN8O/c1-11(2)18-12-8-17(24-9-13(12)19(22-3)28-27-18)25-16-4-6-23-20(26-16)29-7-5-15(30)14(21)10-29/h4,6,8-9,11,14-15,30H,5,7,10H2,1-3H3,(H,22,28)(H,23,24,25,26)/t14-,15+/m0/s1 | | Definition date: | 2022-06-07 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol |
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 | | QFO | | Name: | (3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol | | Formula: | C26 H34 F N7 O3 S | | SMILES: | CS(=O)(=O)CC1CN(C1)c1ncc(C(C)C)c2cc(ncc21)Nc1nc(ncc1)N1CCC(O)C(C)(F)C1 | | InChi: | InChI=1S/C26H34FN7O3S/c1-16(2)19-10-30-24(34-12-17(13-34)14-38(4,36)37)20-11-29-23(9-18(19)20)31-22-5-7-28-25(32-22)33-8-6-21(35)26(3,27)15-33/h5,7,9-11,16-17,21,35H,6,8,12-15H2,1-4H3,(H,28,29,31,32)/t21-,26+/m1/s1 | | Definition date: | 2022-06-08 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol |
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 | | GJ9 | | Name: | (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium | | Formula: | C28 H38 N5 O4 S | | SMILES: | O=C(O)CCCOc1c(C)cc2cccnc2c1N1CCC[NH+](CC1)Cc1csc(n1)N1CCC(O)CC1 | | InChi: | InChI=1S/C28H37N5O4S/c1-20-17-21-5-2-9-29-25(21)26(27(20)37-16-3-6-24(35)36)32-11-4-10-31(14-15-32)18-22-19-38-28(30-22)33-12-7-23(34)8-13-33/h2,5,9,17,19,23,34H,3-4,6-8,10-16,18H2,1H3,(H,35,36)/p+1 | | Definition date: | 2022-01-03 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium |
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 | | 8EH | | Name: | (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide | | Formula: | C24 H27 N7 O5 S | | SMILES: | COc1cccc(OC)c1n2c(N[S](=O)(=O)[CH](C)[CH](O)c3ncc(C)cn3)nnc2c4cccc(C)n4 | | InChi: | InChI=1S/C24H27N7O5S/c1-14-12-25-22(26-13-14)21(32)16(3)37(33,34)30-24-29-28-23(17-9-6-8-15(2)27-17)31(24)20-18(35-4)10-7-11-19(20)36-5/h6-13,16,21,32H,1-5H3,(H,29,30)/t16-,21-/m0/s1 | | Definition date: | 2021-12-09 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (1~{R},2~{S})-~{N}-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide |
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 | | 8G9 | | Name: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | | Formula: | C26 H45 N5 O5 | | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C | | InChi: | InChI=1S/C26H45N5O5/c1-24(2,3)19(29-23(36)30-25(4,5)6)22(35)31-12-16-17(26(16,7)8)18(31)21(34)28-15(13-32)11-14-9-10-27-20(14)33/h14-19,32H,9-13H2,1-8H3,(H,27,33)(H,28,34)(H2,29,30,36)/t14-,15-,16-,17-,18-,19+/m0/s1 | | Definition date: | 2021-09-16 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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 | | 8I7 | | Name: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | | Formula: | C26 H44 N4 O5 | | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)C(NC(=O)CC(C)C)C(C)(C)C | | InChi: | InChI=1S/C26H44N4O5/c1-14(2)10-18(32)29-21(25(3,4)5)24(35)30-12-17-19(26(17,6)7)20(30)23(34)28-16(13-31)11-15-8-9-27-22(15)33/h14-17,19-21,31H,8-13H2,1-7H3,(H,27,33)(H,28,34)(H,29,32)/t15-,16-,17-,19-,20-,21+/m0/s1 | | Definition date: | 2021-09-16 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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 | | I1J | | Name: | 1,3-bis(sulfanyl)propan-2-one | | Formula: | C3 H6 O S2 | | SMILES: | SCC(=O)CS | | InChi: | InChI=1S/C3H6OS2/c4-3(1-5)2-6/h5-6H,1-2H2 | | Definition date: | 2022-01-06 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | 1,3-bis(sulfanyl)propan-2-one |
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 | | I68 | | Name: | N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | | Formula: | C25 H47 N5 O5 | | SMILES: | CC(C)(C)NC(=O)NC(C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO)C(C)(C)C | | InChi: | InChI=1S/C25H47N5O5/c1-23(2,3)13-17(20(33)27-16(14-31)12-15-10-11-26-19(15)32)28-21(34)18(24(4,5)6)29-22(35)30-25(7,8)9/h15-18,31H,10-14H2,1-9H3,(H,26,32)(H,27,33)(H,28,34)(H2,29,30,35)/t15-,16-,17-,18+/m0/s1 | | Definition date: | 2021-09-16 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide |
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 | | I69 | | Name: | (6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name) | | Formula: | C25 H43 N5 O5 | | SMILES: | O=C(C(NC(=O)NC(C)(C)C)C(C)(C)C)N1CC2(CC2)CC1C(=O)NC(CC1CCNC1=O)CO | | InChi: | InChI=1S/C25H43N5O5/c1-23(2,3)18(28-22(35)29-24(4,5)6)21(34)30-14-25(8-9-25)12-17(30)20(33)27-16(13-31)11-15-7-10-26-19(15)32/h15-18,31H,7-14H2,1-6H3,(H,26,32)(H,27,33)(H2,28,29,35)/t15-,16-,17-,18+/m0/s1 | | Definition date: | 2021-09-16 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name) |
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 | | OH6 | | Name: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{Z})-hexadec-9-enethioate | | Formula: | C37 H64 N7 O17 P3 S | | SMILES: | CCCCCCC=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O | | InChi: | InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h9-10,24-26,30-32,36,47-48H,4-8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b10-9-/t26-,30-,31+,32+,36-/m1/s1 | | Synonyms: | Palmitoleoyl-CoA | | Definition date: | 2022-05-02 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-hexadec-9-enethioate (non-preferred name) |
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 | | 7YQ | | Name: | O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | | Formula: | C32 H49 Cl N4 O7 | | SMILES: | CC(C)(C)OC(C)C(NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)CO | | InChi: | InChI=1S/C32H49ClN4O7/c1-20(44-32(2,3)4)27(37-31(42)43-19-22-11-8-12-24(33)15-22)30(41)36-26(16-21-9-6-5-7-10-21)29(40)35-25(18-38)17-23-13-14-34-28(23)39/h8,11-12,15,20-21,23,25-27,38H,5-7,9-10,13-14,16-19H2,1-4H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t20-,23+,25+,26+,27+/m1/s1 | | Definition date: | 2021-08-23 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide |
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 | | 7YW | | Name: | O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Formula: | C29 H45 Cl N4 O7 | | SMILES: | CC(C)(C)OC(C)C(NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)CO | | InChi: | InChI=1S/C29H45ClN4O7/c1-17(2)12-23(26(37)32-22(15-35)14-20-10-11-31-25(20)36)33-27(38)24(18(3)41-29(4,5)6)34-28(39)40-16-19-8-7-9-21(30)13-19/h7-9,13,17-18,20,22-24,35H,10-12,14-16H2,1-6H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t18-,20+,22+,23+,24+/m1/s1 | | Definition date: | 2021-08-23 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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 | | 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: | 2022-07-15 | | 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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 | | 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: | 2022-07-15 | | 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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 | | 81L | | Name: | N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | | Formula: | C27 H40 N4 O6 | | SMILES: | CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)CO | | InChi: | InChI=1S/C27H40N4O6/c1-27(2,3)22(31-26(36)37-16-18-7-5-4-6-8-18)25(35)30-21(13-17-9-10-17)24(34)29-20(15-32)14-19-11-12-28-23(19)33/h4-8,17,19-22,32H,9-16H2,1-3H3,(H,28,33)(H,29,34)(H,30,35)(H,31,36)/t19-,20-,21-,22+/m0/s1 | | Definition date: | 2021-08-31 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide |
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 | | 1XZ | | Name: | 3-(2~{H}-indazol-3-yl)-~{N}-[[1-[(1~{R},2~{R})-2-methoxycyclohexyl]-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide | | Formula: | C27 H31 N7 O3 | | SMILES: | CCC(=O)Nc1cc(cc(c1)c2[nH]nc3ccccc23)C(=O)NCc4cn(nn4)[CH]5CCCC[CH]5OC | | InChi: | InChI=1S/C27H31N7O3/c1-3-25(35)29-19-13-17(26-21-8-4-5-9-22(21)31-32-26)12-18(14-19)27(36)28-15-20-16-34(33-30-20)23-10-6-7-11-24(23)37-2/h4-5,8-9,12-14,16,23-24H,3,6-7,10-11,15H2,1-2H3,(H,28,36)(H,29,35)(H,31,32)/t23-,24-/m1/s1 | | Definition date: | 2021-06-15 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | 3-(2~{H}-indazol-3-yl)-~{N}-[[1-[(1~{R},2~{R})-2-methoxycyclohexyl]-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide |
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 | | 7V2 | | Name: | N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | | Formula: | C27 H42 N4 O6 | | SMILES: | CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO | | InChi: | InChI=1S/C27H42N4O6/c1-17(2)22(31-26(36)37-16-18-9-7-6-8-10-18)25(35)30-21(14-27(3,4)5)24(34)29-20(15-32)13-19-11-12-28-23(19)33/h6-10,17,19-22,32H,11-16H2,1-5H3,(H,28,33)(H,29,34)(H,30,35)(H,31,36)/t19-,20-,21-,22-/m0/s1 | | Definition date: | 2021-08-22 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide |
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