 | | XDV | | Name: | 2-[2-(2-aminoethoxy)ethoxy]acetamide | | Formula: | C6 H14 N2 O3 | | SMILES: | NC(COCCOCCN)=O | | InChi: | InChI=1S/C6H14N2O3/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H2,8,9) | | Definition date: | 2020-12-11 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-23 | | Identifier: | 2-[2-(2-aminoethoxy)ethoxy]acetamide |
|
 | | US8 | | Name: | 2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide | | Formula: | C16 H16 N2 O2 S | | SMILES: | CC(=O)Nc1sc(cc1C(=O)NC2CC2)c3ccccc3 | | InChi: | InChI=1S/C16H16N2O2S/c1-10(19)17-16-13(15(20)18-12-7-8-12)9-14(21-16)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,17,19)(H,18,20) | | Synonyms: | 2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide | | Definition date: | 2021-03-10 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-16 | | Identifier: | 2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide |
|
 | | T7C | | Name: | 3-({2-[(2-amino-2-oxoethyl)amino]ethyl}sulfanyl)propanoic acid | | Formula: | C7 H14 N2 O3 S | | SMILES: | O=C(N)CNCCSCCC(=O)O | | InChi: | InChI=1S/C7H14N2O3S/c8-6(10)5-9-2-4-13-3-1-7(11)12/h9H,1-5H2,(H2,8,10)(H,11,12) | | Definition date: | 2022-07-19 | | Last modified: | 2024-09-27 | | Release date: | 2023-05-24 | | Identifier: | 3-({2-[(2-amino-2-oxoethyl)amino]ethyl}sulfanyl)propanoic acid |
|
 | | HBX | | Name: | benzaldehyde | | Formula: | C7 H6 O | | SMILES: | O=Cc1ccccc1 | | InChi: | InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H | | Definition date: | 2009-02-26 | | Last modified: | 2024-09-27 | | Identifier: | benzaldehyde |
|
 | | XV4 | | Name: | N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Formula: | C23 H32 N4 O5 | | SMILES: | C3(C(CC(NC(C(CC(C)C)NC(c1nc2c(c1)c(OC)ccc2)=O)=O)CO)CCN3)=O | | InChi: | InChI=1S/C23H32N4O5/c1-13(2)9-18(22(30)25-15(12-28)10-14-7-8-24-21(14)29)27-23(31)19-11-16-17(26-19)5-4-6-20(16)32-3/h4-6,11,13-15,18,26,28H,7-10,12H2,1-3H3,(H,24,29)(H,25,30)(H,27,31)/t14-,15-,18-/m0/s1 | | Definition date: | 2021-01-14 | | Last modified: | 2024-09-27 | | Release date: | 2021-07-07 | | Identifier: | N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide |
|
 | | XDY | | Name: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine | | Formula: | C14 H20 N4 O5 | | SMILES: | C(CN(C1C(N)CCC1)C(=O)CN2C(NC(=O)C(C)=C2)=O)(O)=O | | InChi: | InChI=1S/C14H20N4O5/c1-8-5-17(14(23)16-13(8)22)6-11(19)18(7-12(20)21)10-4-2-3-9(10)15/h5,9-10H,2-4,6-7,15H2,1H3,(H,20,21)(H,16,22,23)/t9-,10-/m0/s1 | | Definition date: | 2020-12-11 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-23 | | Identifier: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine |
|
 | | US9 | | Name: | (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide | | Formula: | C15 H19 F3 N2 O4 S | | SMILES: | O=S(=O)(CC)N1CCCC(C1)C(=O)Nc1ccc(OC(F)(F)F)cc1 | | InChi: | InChI=1S/C15H19F3N2O4S/c1-2-25(22,23)20-9-3-4-11(10-20)14(21)19-12-5-7-13(8-6-12)24-15(16,17)18/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)/t11-/m1/s1 | | Definition date: | 2022-08-24 | | Last modified: | 2024-09-27 | | Release date: | 2023-05-10 | | Identifier: | (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide |
|
 | | 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: | 2024-09-27 | | 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 |
|
 | | T7D | | Name: | N-(1-acetylpiperidin-4-yl)benzamide | | Formula: | C14 H18 N2 O2 | | SMILES: | N(C1CCN(CC1)C(C)=O)C(c2ccccc2)=O | | InChi: | InChI=1S/C14H18N2O2/c1-11(17)16-9-7-13(8-10-16)15-14(18)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,15,18) | | Definition date: | 2020-03-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-25 | | Identifier: | N-(1-acetylpiperidin-4-yl)benzamide |
|
 | | 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: | 2024-09-27 | | 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) |
|
 | | ZE9 | | Name: | 1-[(3R,5R)-5-(furan-2-yl)-3-(5-methylfuran-2-yl)pyrazolidin-1-yl]ethan-1-one | | Formula: | C14 H16 N2 O3 | | SMILES: | CC(=O)N1NC(CC1c1ccco1)c1ccc(C)o1 | | InChi: | InChI=1S/C14H16N2O3/c1-9-5-6-13(19-9)11-8-12(14-4-3-7-18-14)16(15-11)10(2)17/h3-7,11-12,15H,8H2,1-2H3/t11-,12-/m1/s1 | | Definition date: | 2023-06-23 | | Last modified: | 2024-09-27 | | Release date: | 2023-07-12 | | Identifier: | 1-[(3R,5R)-5-(furan-2-yl)-3-(5-methylfuran-2-yl)pyrazolidin-1-yl]ethan-1-one |
|
 | | USA | | Name: | (E)-1-(1H-imidazol-2-yl)methanimine | | Formula: | C4 H5 N3 | | SMILES: | n1ccnc1/C=N | | InChi: | InChI=1S/C4H5N3/c5-3-4-6-1-2-7-4/h1-3,5H,(H,6,7)/b5-3+ | | Definition date: | 2020-05-28 | | Last modified: | 2024-09-27 | | Release date: | 2020-06-10 | | Identifier: | (E)-1-(1H-imidazol-2-yl)methanimine |
|
 | | TM8 | | Name: | Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-L-phenylalaninamide | | Formula: | C33 H34 N2 O5 S | | SMILES: | N(C(OCc1ccccc1)=O)C(Cc2ccccc2)C(=O)NC(CCS(c3ccccc3)(=O)=O)Cc4ccccc4 | | InChi: | InChI=1S/C33H34N2O5S/c36-32(31(24-27-15-7-2-8-16-27)35-33(37)40-25-28-17-9-3-10-18-28)34-29(23-26-13-5-1-6-14-26)21-22-41(38,39)30-19-11-4-12-20-30/h1-20,29,31H,21-25H2,(H,34,36)(H,35,37)/t29-,31+/m1/s1 | | Definition date: | 2019-11-07 | | Last modified: | 2024-09-27 | | Release date: | 2020-11-25 | | Identifier: | Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-L-phenylalaninamide |
|
 | | T7G | | Name: | 1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide | | Formula: | C14 H18 N2 O3 | | SMILES: | N2(CCC(C(Nc1ccccc1O)=O)CC2)C(C)=O | | InChi: | InChI=1S/C14H18N2O3/c1-10(17)16-8-6-11(7-9-16)14(19)15-12-4-2-3-5-13(12)18/h2-5,11,18H,6-9H2,1H3,(H,15,19) | | Definition date: | 2020-03-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-25 | | Identifier: | 1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide |
|
 | | T7H | | Name: | 3-({2-[(carboxymethyl)amino]ethyl}sulfanyl)propanoic acid | | Formula: | C7 H13 N O4 S | | SMILES: | OC(=O)CNCCSCCC(=O)O | | InChi: | InChI=1S/C7H13NO4S/c9-6(10)1-3-13-4-2-8-5-7(11)12/h8H,1-5H2,(H,9,10)(H,11,12) | | Definition date: | 2022-07-19 | | Last modified: | 2024-09-27 | | Release date: | 2023-05-24 | | Identifier: | 3-({2-[(carboxymethyl)amino]ethyl}sulfanyl)propanoic acid |
|
 | | XE0 | | Name: | 4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol | | Formula: | C13 H9 Cl2 F3 N2 O | | SMILES: | Oc1nc(CCc2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F | | InChi: | InChI=1S/C13H9Cl2F3N2O/c14-8-3-1-7(10(15)5-8)2-4-9-6-11(13(16,17)18)20-12(21)19-9/h1,3,5-6H,2,4H2,(H,19,20,21) | | Definition date: | 2022-11-14 | | Last modified: | 2024-09-27 | | Release date: | 2023-10-18 | | Identifier: | 4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol |
|
 | | XV9 | | Name: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[[iminomethyl-(phenylmethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate | | Formula: | C36 H46 N6 O5 | | SMILES: | CC[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C(=O)N[CH](Cc2ccccc2)C(=O)N(C)N(Cc3ccccc3)C=N)C(C)(C)C | | InChi: | InChI=1S/C36H46N6O5/c1-6-29(39-35(46)47-24-28-20-14-9-15-21-28)32(43)40-31(36(2,3)4)33(44)38-30(22-26-16-10-7-11-17-26)34(45)41(5)42(25-37)23-27-18-12-8-13-19-27/h7-21,25,29-31,37H,6,22-24H2,1-5H3,(H,38,44)(H,39,46)(H,40,43)/b37-25-/t29-,30-,31+/m0/s1 | | Definition date: | 2023-11-14 | | Last modified: | 2024-09-27 | | Release date: | 2024-07-03 | | Identifier: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[[iminomethyl-(phenylmethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate |
|
 | | USD | | Name: | (E)-1-(pyrimidin-2-yl)methanimine | | Formula: | C5 H5 N3 | | SMILES: | n1cccnc1/C=N | | InChi: | InChI=1S/C5H5N3/c6-4-5-7-2-1-3-8-5/h1-4,6H/b6-4+ | | Definition date: | 2020-05-28 | | Last modified: | 2024-09-27 | | Release date: | 2020-06-10 | | Identifier: | (E)-1-(pyrimidin-2-yl)methanimine |
|
 | | PKH | | Name: | ~{N}-[(1~{R},2~{R},4~{S},7~{E})-7-[azanyl(sulfanyl)methylidene]-7$l^{4}-azabicyclo[2.2.1]heptan-2-yl]-2-chloranyl-4-(6-cyclopropylpyrazin-2-yl)benzamide | | Formula: | C21 H23 Cl N5 O S | | SMILES: | N/C(S)=[N+]1/C2CC(NC(=O)c3ccc(cc3Cl)c3cncc(n3)C3CC3)C1CC2 | | InChi: | InChI=1S/C21H22ClN5OS/c22-15-7-12(18-10-24-9-17(25-18)11-1-2-11)3-5-14(15)20(28)26-16-8-13-4-6-19(16)27(13)21(23)29/h3,5,7,9-11,13,16,19H,1-2,4,6,8H2,(H3,23,26,28,29)/p+1/t13-,16+,19+/m0/s1 | | Definition date: | 2022-05-26 | | Last modified: | 2024-09-27 | | Release date: | 2023-02-01 | | Identifier: | (1R,2R,4S,7E)-7-[amino(sulfanyl)methylidene]-2-{[(4M)-2-chloro-4-(6-cyclopropylpyrazin-2-yl)benzene-1-carbonyl]amino}-7-azabicyclo[2.2.1]heptan-7-ium |
|
 | | WJB | | Name: | (1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | Formula: | C24 H37 N3 O10 S2 | | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)S(=O)(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C24H37N3O10S2/c1-15(2)12-18(21(29)26-19(22(30)39(34,35)36)13-16-10-11-25-20(16)28)27-23(31)37-14-24(3,4)38(32,33)17-8-6-5-7-9-17/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,34,35,36)/t16-,18-,19-,22+/m0/s1 | | Definition date: | 2022-09-13 | | Last modified: | 2024-09-27 | | Release date: | 2022-09-21 | | Identifier: | (1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
|
 | | T7J | | Name: | N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide | | Formula: | C13 H15 N O3 S | | SMILES: | C=1S(CC(C=1)N(c2ccc(C)cc2)C(=O)C)(=O)=O | | InChi: | InChI=1S/C13H15NO3S/c1-10-3-5-12(6-4-10)14(11(2)15)13-7-8-18(16,17)9-13/h3-8,13H,9H2,1-2H3/t13-/m1/s1 | | Definition date: | 2020-03-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-25 | | Identifier: | N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide |
|
 | | XE2 | | Name: | (6P)-6-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde | | Formula: | C15 H10 O3 | | SMILES: | Oc1ccc2cc(ccc2c1C=O)c1ccco1 | | InChi: | InChI=1S/C15H10O3/c16-9-13-12-5-3-11(15-2-1-7-18-15)8-10(12)4-6-14(13)17/h1-9,17H | | Definition date: | 2023-06-06 | | Last modified: | 2024-09-27 | | Release date: | 2023-12-06 | | Identifier: | (6P)-6-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde |
|
 | | HC4 | | Name: | 4'-HYDROXYCINNAMIC ACID | | Formula: | C9 H8 O3 | | SMILES: | O=C(O)/C=C/c1ccc(O)cc1 | | InChi: | InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ | | Synonyms: | PARA-COUMARIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid |
|
 | | QS7 | | Name: | N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide | | Formula: | C23 H23 Cl2 N5 O5 | | SMILES: | c13nc(ncc1C=C(c2c(c(OC)cc(c2Cl)OC)Cl)C(N3C)=O)NC4C(COC4)NC(=O)[C@H]=C | | InChi: | InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1 | | Definition date: | 2019-12-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-25 | | Identifier: | N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide |
|
 | | VNK | | Name: | N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide | | Formula: | C27 H52 N4 O5 | | SMILES: | O=C(NC(CC(C)C)C(O)C(C)C)C(NC(=O)C(NC(=O)CCCCC)C(C)C)CCC(=O)N(C)C | | InChi: | InChI=1S/C27H52N4O5/c1-10-11-12-13-22(32)30-24(18(4)5)27(36)28-20(14-15-23(33)31(8)9)26(35)29-21(16-17(2)3)25(34)19(6)7/h17-21,24-25,34H,10-16H2,1-9H3,(H,28,36)(H,29,35)(H,30,32)/t20-,21-,24-,25-/m0/s1 | | Synonyms: | vinylketone carmaphycin analogue VNK1, double bound form | | Definition date: | 2012-11-01 | | Last modified: | 2024-09-27 | | Release date: | 2014-01-29 | | Identifier: | N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide |
|
