 | | A1IM4 | | Name: | 2-(iminomethyl)pyridine-4-carboxylic acid | | Formula: | C7 H6 N2 O2 | | SMILES: | OC(=O)c1ccnc(C=N)c1 | | InChi: | InChI=1S/C7H6N2O2/c8-4-6-3-5(7(10)11)1-2-9-6/h1-4,8H,(H,10,11)/b8-4+ | | Definition date: | 2024-08-30 | | Last modified: | 2024-09-27 | | Release date: | 2024-09-11 | | Identifier: | 2-(iminomethyl)pyridine-4-carboxylic acid |
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 | | A1IM8 | | Name: | (2~{R})-2-azanyl-~{N}-methyl-3-pyridin-4-yl-propanamide | | Formula: | C9 H13 N3 O | | SMILES: | CNC(=O)[CH](N)Cc1ccncc1 | | InChi: | InChI=1S/C9H13N3O/c1-11-9(13)8(10)6-7-2-4-12-5-3-7/h2-5,8H,6,10H2,1H3,(H,11,13)/t8-/m1/s1 | | Definition date: | 2024-08-31 | | Last modified: | 2024-09-27 | | Release date: | 2024-09-11 | | Identifier: | (2~{R})-2-azanyl-~{N}-methyl-3-pyridin-4-yl-propanamide |
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 | | A1IMU | | Name: | (2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(phenylcarbamoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide | | Formula: | C27 H34 N6 O6 | | SMILES: | CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)Nc4ccccc4)C3=O | | InChi: | InChI=1S/C27H34N6O6/c1-28-25(37)22(34)20(15-17-11-12-29-23(17)35)31-24(36)21(14-16-9-10-16)33-13-5-8-19(26(33)38)32-27(39)30-18-6-3-2-4-7-18/h2-8,13,16-17,20-22,34H,9-12,14-15H2,1H3,(H,28,37)(H,29,35)(H,31,36)(H2,30,32,39)/t17-,20+,21?,22+/m1/s1 | | Definition date: | 2024-08-28 | | Last modified: | 2024-09-27 | | Release date: | 2024-09-11 | | Identifier: | (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(phenylcarbamoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide |
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 | | A1IMW | | Name: | 2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethylcarbamic acid | | Formula: | C9 H20 N2 O5 | | SMILES: | NCCOCCOCCOCCNC(O)=O | | InChi: | InChI=1S/C9H20N2O5/c10-1-3-14-5-7-16-8-6-15-4-2-11-9(12)13/h11H,1-8,10H2,(H,12,13) | | Definition date: | 2024-08-28 | | Last modified: | 2024-09-27 | | Release date: | 2024-09-04 | | Identifier: | 2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethylcarbamic acid |
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 | | A1IMX | | Name: | 4-[2-[1-[3-[3-(aminomethyl)phenoxy]propyl]-1,2,3-triazol-4-yl]ethoxy]-8-azanyl-quinoline-2-carboxylic acid | | Formula: | C24 H26 N6 O4 | | SMILES: | NCc1cccc(OCCCn2cc(CCOc3cc(nc4c(N)cccc34)C(O)=O)nn2)c1 | | InChi: | InChI=1S/C24H26N6O4/c25-14-16-4-1-5-18(12-16)33-10-3-9-30-15-17(28-29-30)8-11-34-22-13-21(24(31)32)27-23-19(22)6-2-7-20(23)26/h1-2,4-7,12-13,15H,3,8-11,14,25-26H2,(H,31,32) | | Definition date: | 2024-08-28 | | Last modified: | 2024-09-27 | | Release date: | 2024-09-04 | | Identifier: | 4-[2-[1-[3-[3-(aminomethyl)phenoxy]propyl]-1,2,3-triazol-4-yl]ethoxy]-8-azanyl-quinoline-2-carboxylic acid |
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 | | A1IO0 | | Name: | 7-[(3~{S},4~{S},6~{R})-1-[(2~{S})-2-azanyl-4-methyl-pentanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione | | Formula: | C20 H32 N6 O5 | | SMILES: | CC(C)C[CH](N)C(=O)N1C[CH](O)C[C](C)(O)[CH](C1)n2cnc3N(C)C(=O)N(C)C(=O)c23 | | InChi: | InChI=1S/C20H32N6O5/c1-11(2)6-13(21)17(28)25-8-12(27)7-20(3,31)14(9-25)26-10-22-16-15(26)18(29)24(5)19(30)23(16)4/h10-14,27,31H,6-9,21H2,1-5H3/t12-,13+,14+,20+/m1/s1 | | Definition date: | 2024-09-19 | | Last modified: | 2024-09-27 | | Release date: | 2024-10-02 | | Identifier: | 7-[(3~{S},4~{S},6~{R})-1-[(2~{S})-2-azanyl-4-methyl-pentanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione |
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 | | A1IOV | | Name: | 7-[(3~{R},4~{R},6~{S})-1-[(2~{S})-2-azanyl-4-methyl-pentanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione | | Formula: | C20 H32 N6 O5 | | SMILES: | CC(C)C[CH](N)C(=O)N1C[CH](O)C[C](C)(O)[CH](C1)n2cnc3N(C)C(=O)N(C)C(=O)c23 | | InChi: | InChI=1S/C20H32N6O5/c1-11(2)6-13(21)17(28)25-8-12(27)7-20(3,31)14(9-25)26-10-22-16-15(26)18(29)24(5)19(30)23(16)4/h10-14,27,31H,6-9,21H2,1-5H3/t12-,13-,14+,20+/m0/s1 | | Definition date: | 2024-09-17 | | Last modified: | 2024-09-27 | | Release date: | 2024-10-02 | | Identifier: | 7-[(3~{R},4~{R},6~{S})-1-[(2~{S})-2-azanyl-4-methyl-pentanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione |
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 | | A1IOZ | | Name: | 7-[(3~{S},4~{S},6~{R})-1-[3-(aminomethyl)phenyl]carbonyl-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione | | Formula: | C22 H28 N6 O5 | | SMILES: | CN1C(=O)N(C)c2ncn([CH]3CN(C[CH](O)C[C]3(C)O)C(=O)c4cccc(CN)c4)c2C1=O | | InChi: | InChI=1S/C22H28N6O5/c1-22(33)8-15(29)10-27(19(30)14-6-4-5-13(7-14)9-23)11-16(22)28-12-24-18-17(28)20(31)26(3)21(32)25(18)2/h4-7,12,15-16,29,33H,8-11,23H2,1-3H3/t15-,16+,22+/m1/s1 | | Definition date: | 2024-09-19 | | Last modified: | 2024-09-27 | | Release date: | 2024-10-02 | | Identifier: | 7-[(3~{S},4~{S},6~{R})-1-[3-(aminomethyl)phenyl]carbonyl-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione |
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 | | A1L4B | | Name: | (2S)-2-azanyl-5-nitroso-5-oxidanylidene-pentanoic acid | | Formula: | C5 H8 N2 O4 | | SMILES: | N[CH](CCC(=O)N=O)C(O)=O | | InChi: | InChI=1S/C5H8N2O4/c6-3(5(9)10)1-2-4(8)7-11/h3H,1-2,6H2,(H,9,10)/t3-/m0/s1 | | Definition date: | 2024-09-19 | | Last modified: | 2024-09-27 | | Release date: | 2024-10-02 | | Identifier: | (2~{S})-2-azanyl-5-nitroso-5-oxidanylidene-pentanoic acid |
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 | | A1LTQ | | Name: | ADP-RIBOXANATED ARGININE | | Formula: | C21 H32 N8 O15 P2 | | SMILES: | N[CH](CCCN1[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2OC1=N)C(O)=O | | InChi: | InChI=1S/C21H32N8O15P2/c22-8(20(33)34)2-1-3-28-19-15(43-21(28)24)13(31)10(42-19)5-40-46(37,38)44-45(35,36)39-4-9-12(30)14(32)18(41-9)29-7-27-11-16(23)25-6-26-17(11)29/h6-10,12-15,18-19,24,30-32H,1-5,22H2,(H,33,34)(H,35,36)(H,37,38)(H2,23,25,26)/b24-21+/t8-,9+,10+,12+,13+,14+,15+,18+,19-/m0/s1 | | Synonyms: | 5-[5-[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-azanylidene-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-3-yl]-2-azanyl-pentanoic acid | | Definition date: | 2024-01-22 | | Last modified: | 2024-09-27 | | Release date: | 2024-07-03 | | Identifier: | 5-[5-[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-azanylidene-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-3-yl]-2-azanyl-pentanoic acid |
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 | | A1LVQ | | Name: | CXF007 | | Formula: | C34 H33 N7 O5 | | SMILES: | COc1cc(OC)cc(c1)N2Cc3cnc(Nc4ccccc4NC(=O)C=C)nc3N(CCc5ccc(NC(=O)C=C)cc5)C2=O | | InChi: | InChI=1S/C34H33N7O5/c1-5-30(42)36-24-13-11-22(12-14-24)15-16-40-32-23(21-41(34(40)44)25-17-26(45-3)19-27(18-25)46-4)20-35-33(39-32)38-29-10-8-7-9-28(29)37-31(43)6-2/h5-14,17-20H,1-2,15-16,21H2,3-4H3,(H,36,42)(H,37,43)(H,35,38,39) | | Synonyms: | ~{N}-[4-[2-[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-7-[[2-(prop-2-enoylamino)phenyl]amino]-4~{H}-pyrimido[4,5-d]pyrimidin-1-yl]ethyl]phenyl]propanamide | | Definition date: | 2024-01-04 | | Last modified: | 2024-09-27 | | Release date: | 2024-03-27 | | Identifier: | ~{N}-[4-[2-[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-7-[[2-(prop-2-enoylamino)phenyl]amino]-4~{H}-pyrimido[4,5-d]pyrimidin-1-yl]ethyl]phenyl]prop-2-enamide |
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 | | A1LWV | | Name: | (2~{S})-2-azanyl-6-(5-oxidanylidenepentanoylamino)hexanoic acid | | Formula: | C11 H20 N2 O4 | | SMILES: | N[CH](CCCCNC(=O)CCCC=O)C(O)=O | | InChi: | InChI=1S/C11H20N2O4/c12-9(11(16)17)5-1-3-7-13-10(15)6-2-4-8-14/h8-9H,1-7,12H2,(H,13,15)(H,16,17)/t9-/m0/s1 | | Definition date: | 2024-01-18 | | Last modified: | 2024-09-27 | | Release date: | 2024-01-24 | | Identifier: | (2~{S})-2-azanyl-6-(5-oxidanylidenepentanoylamino)hexanoic acid |
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 | | A1LWW | | Name: | 5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide | | Formula: | C24 H19 F2 N7 O2 | | SMILES: | Cc1[nH]c2c(F)c(C#Cc3nn(Cc4cccc(NC(=O)C=C)c4)c(N)c3C(N)=O)c(F)cc2n1 | | InChi: | InChI=1S/C24H19F2N7O2/c1-3-19(34)31-14-6-4-5-13(9-14)11-33-23(27)20(24(28)35)17(32-33)8-7-15-16(25)10-18-22(21(15)26)30-12(2)29-18/h3-6,9-10H,1,11,27H2,2H3,(H2,28,35)(H,29,30)(H,31,34) | | Definition date: | 2024-01-22 | | Last modified: | 2024-09-27 | | Release date: | 2024-06-26 | | Identifier: | 5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide |
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 | | 8Z6 | | Name: | 2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione | | Formula: | C11 H10 O2 S | | SMILES: | [CH2]=[C]1C(=O)C[CH](CC1=O)c2sccc2 | | InChi: | InChI=1S/C11H10O2S/c1-7-9(12)5-8(6-10(7)13)11-3-2-4-14-11/h2-4,8H,1,5-6H2 | | Definition date: | 2017-11-09 | | Last modified: | 2024-09-27 | | Release date: | 2021-10-13 | | Identifier: | 2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione |
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 | | 8ZB | | Name: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-propyl-oxolane-3,4-diol | | Formula: | C12 H17 N5 O3 | | SMILES: | CCC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 | | InChi: | InChI=1S/C12H17N5O3/c1-2-3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 | | Definition date: | 2017-03-30 | | Last modified: | 2024-09-27 | | Release date: | 2017-04-05 | | Identifier: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-propyl-oxolane-3,4-diol |
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 | | 8ZD | | Name: | N-{2-[({1-[(2R)-pentan-2-yl]piperidin-4-yl}{[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]phenyl}propanamide | | Formula: | C28 H37 F3 N4 O2 | | SMILES: | FC(F)(F)c1cccc(c1)NC(=O)N(C2CCN(CC2)C(CCC)C)Cc3ccccc3NC(CC)=O | | InChi: | InChI=1S/C28H37F3N4O2/c1-4-9-20(3)34-16-14-24(15-17-34)35(19-21-10-6-7-13-25(21)33-26(36)5-2)27(37)32-23-12-8-11-22(18-23)28(29,30)31/h6-8,10-13,18,20,24H,4-5,9,14-17,19H2,1-3H3,(H,32,37)(H,33,36)/t20-/m1/s1 | | Definition date: | 2017-03-22 | | Last modified: | 2024-09-27 | | Release date: | 2017-05-24 | | Identifier: | N-{2-[({1-[(2R)-pentan-2-yl]piperidin-4-yl}{[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]phenyl}propanamide |
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 | | 8ZG | | Name: | 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one | | Formula: | C21 H20 Cl F N4 O | | SMILES: | c3(c1ccccc1F)c(Cl)cc4c(N2CCN(CC2)C(=O)CC)ncnc4c3 | | InChi: | InChI=1S/C21H20ClFN4O/c1-2-20(28)26-7-9-27(10-8-26)21-16-11-17(22)15(12-19(16)24-13-25-21)14-5-3-4-6-18(14)23/h3-6,11-13H,2,7-10H2,1H3 | | Definition date: | 2017-03-22 | | Last modified: | 2024-09-27 | | Release date: | 2017-08-23 | | Identifier: | 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one |
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 | | 8ZI | | Name: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | | Formula: | C28 H47 N5 O6 | | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)C(NC(=O)CC(C)(C)C)C(C)(C)C | | InChi: | InChI=1S/C28H47N5O6/c1-26(2,3)12-17(34)32-21(27(4,5)6)25(39)33-13-15-18(28(15,7)8)19(33)24(38)31-16(20(35)22(29)36)11-14-9-10-30-23(14)37/h14-16,18-21,35H,9-13H2,1-8H3,(H2,29,36)(H,30,37)(H,31,38)(H,32,34)/t14-,15-,16-,18-,19-,20+,21+/m0/s1 | | Definition date: | 2021-10-04 | | Last modified: | 2024-09-27 | | Release date: | 2022-10-05 | | Identifier: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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 | | 8ZO | | Name: | prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate | | Formula: | C12 H12 O4 S | | SMILES: | C=CCOC(=O)[CH]1C[S](=O)(=O)c2ccccc12 | | InChi: | InChI=1S/C12H12O4S/c1-2-7-16-12(13)10-8-17(14,15)11-6-4-3-5-9(10)11/h2-6,10H,1,7-8H2/t10-/m1/s1 | | Definition date: | 2017-11-13 | | Last modified: | 2024-09-27 | | Release date: | 2020-08-19 | | Identifier: | prop-2-enyl (3~{R})-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate |
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 | | 90A | | Name: | 2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid | | Formula: | C13 H25 N O7 | | SMILES: | C(NC(C)=O)COCCOCCOCCOCCC(O)=O | | InChi: | InChI=1S/C13H25NO7/c1-12(15)14-3-5-19-7-9-21-11-10-20-8-6-18-4-2-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17) | | Definition date: | 2017-03-24 | | Last modified: | 2024-09-27 | | Release date: | 2017-07-26 | | Identifier: | 2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid |
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 | | 90H | | Name: | (1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | | Formula: | C25 H38 F3 N5 O6 | | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NC)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C | | InChi: | InChI=1S/C25H38F3N5O6/c1-23(2,3)17(32-22(39)25(26,27)28)21(38)33-10-12-14(24(12,4)5)15(33)19(36)31-13(16(34)20(37)29-6)9-11-7-8-30-18(11)35/h11-17,34H,7-10H2,1-6H3,(H,29,37)(H,30,35)(H,31,36)(H,32,39)/t11-,12-,13-,14-,15-,16+,17+/m0/s1 | | Definition date: | 2021-10-04 | | Last modified: | 2024-09-27 | | Release date: | 2022-10-05 | | Identifier: | (1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-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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 | | 90I | | Name: | benzyl (S)-2-(((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)carbamoyl)pyrrolidine-1-carboxylate | | Formula: | C29 H36 N4 O6 | | SMILES: | O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH]2CCCN2C(=O)OCc3ccccc3)C(=O)NCCc4ccccc4 | | InChi: | InChI=1S/C29H36N4O6/c34-25(28(37)31-15-13-20-8-3-1-4-9-20)23(18-22-14-16-30-26(22)35)32-27(36)24-12-7-17-33(24)29(38)39-19-21-10-5-2-6-11-21/h1-6,8-11,22-25,34H,7,12-19H2,(H,30,35)(H,31,37)(H,32,36)/t22-,23-,24-,25+/m0/s1 | | Synonyms: | (phenylmethyl) (2S)-2-[[(2S)-3,4-bis(oxidanylidene)-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate | | Definition date: | 2021-11-10 | | Last modified: | 2024-09-27 | | Release date: | 2022-11-23 | | Identifier: | (phenylmethyl) (2~{S})-2-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate |
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 | | 90U | | Name: | benzyl (1R,2S,5S)-2-({(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate | | Formula: | C24 H32 N4 O6 | | SMILES: | NC(=O)C(O)C(CC1CCNC1=O)NC(=O)C1C2C(CN1C(=O)OCc1ccccc1)C2(C)C | | InChi: | InChI=1S/C24H32N4O6/c1-24(2)15-11-28(23(33)34-12-13-6-4-3-5-7-13)18(17(15)24)22(32)27-16(19(29)20(25)30)10-14-8-9-26-21(14)31/h3-7,14-19,29H,8-12H2,1-2H3,(H2,25,30)(H,26,31)(H,27,32)/t14-,15-,16-,17-,18-,19+/m0/s1 | | Definition date: | 2021-10-04 | | Last modified: | 2024-09-27 | | Release date: | 2022-10-05 | | Identifier: | benzyl (1R,2S,5S)-2-({(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate |
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 | | 90X | | Name: | (S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)pyrrolidine-2-carboxamide | | Formula: | C29 H34 Cl2 N4 O6 | | SMILES: | O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH]2CCCN2C(=O)COc3ccc(Cl)cc3Cl)C(=O)NCCc4ccccc4 | | InChi: | InChI=1S/C29H34Cl2N4O6/c30-20-8-9-24(21(31)16-20)41-17-25(36)35-14-4-7-23(35)28(39)34-22(15-19-11-13-32-27(19)38)26(37)29(40)33-12-10-18-5-2-1-3-6-18/h1-3,5-6,8-9,16,19,22-23,26,37H,4,7,10-15,17H2,(H,32,38)(H,33,40)(H,34,39)/t19-,22-,23-,26+/m0/s1 | | Synonyms: | (2S)-1-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-N-[(2S)-3,4-bis(oxidanylidene)-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]pyrrolidine-2-carboxamide | | Definition date: | 2021-11-10 | | Last modified: | 2024-09-27 | | Release date: | 2022-11-23 | | Identifier: | (2~{S})-1-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]pyrrolidine-2-carboxamide |
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 | | 91D | | Name: | N~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide | | Formula: | C26 H30 Cl F N6 O2 | | SMILES: | c4c1c(nc(NCCC(=O)N(C)C)nc1N2CCN(CC2)C(=O)CC)cc(c3c(F)cccc3)c4Cl | | InChi: | InChI=1S/C26H30ClFN6O2/c1-4-23(35)33-11-13-34(14-12-33)25-19-15-20(27)18(17-7-5-6-8-21(17)28)16-22(19)30-26(31-25)29-10-9-24(36)32(2)3/h5-8,15-16H,4,9-14H2,1-3H3,(H,29,30,31) | | Definition date: | 2017-03-27 | | Last modified: | 2024-09-27 | | Release date: | 2017-08-23 | | Identifier: | N~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide |
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