 | | PTR | | Name: | O-PHOSPHOTYROSINE | | Formula: | C9 H12 N O6 P | | SMILES: | O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O | | InChi: | InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 | | Synonyms: | PHOSPHONOTYROSINE | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | O-phosphono-L-tyrosine |
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 | | C1J | | Name: | N~5~-(N-octylcarbamimidoyl)-L-ornithine | | Formula: | C14 H30 N4 O2 | | SMILES: | NC(C(O)=O)CCCN/C(NCCCCCCCC)=N | | InChi: | InChI=1S/C14H30N4O2/c1-2-3-4-5-6-7-10-17-14(16)18-11-8-9-12(15)13(19)20/h12H,2-11,15H2,1H3,(H,19,20)(H3,16,17,18)/t12-/m0/s1 | | Definition date: | 2017-09-08 | | Last modified: | 2023-11-03 | | Release date: | 2017-12-13 | | Identifier: | N~5~-(N-octylcarbamimidoyl)-L-ornithine |
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 | | PUK | | Name: | N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine | | Formula: | C18 H22 N2 O2 | | SMILES: | O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccccc2 | | InChi: | InChI=1S/C18H22N2O2/c19-16(11-14-7-3-1-4-8-14)13-20-17(18(21)22)12-15-9-5-2-6-10-15/h1-10,16-17,20H,11-13,19H2,(H,21,22)/t16-,17-/m0/s1 | | Definition date: | 2009-02-06 | | Last modified: | 2023-11-03 | | Identifier: | N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine |
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 | | PUU | | Name: | (4R)-1-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide | | Formula: | C21 H18 Cl N3 O2 | | SMILES: | CC(=O)N1CCC(c2cc(Cl)ccc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C21H18ClN3O2/c1-13(26)25-9-8-17(18-10-15(22)6-7-20(18)25)21(27)24-19-12-23-11-14-4-2-3-5-16(14)19/h2-7,10-12,17H,8-9H2,1H3,(H,24,27)/t17-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-1-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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 | | PVA | | Name: | 1-AMINO-2-METHYL-PROPYLPHOSPHONIC ACID | | Formula: | C4 H12 N O3 P | | SMILES: | O=P(O)(O)C(N)C(C)C | | InChi: | InChI=1S/C4H12NO3P/c1-3(2)4(5)9(6,7)8/h3-4H,5H2,1-2H3,(H2,6,7,8)/t4-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | [(1R)-1-amino-2-methylpropyl]phosphonic acid |
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 | | C4G | | Name: | N~5~-[N-(3-aminopropyl)carbamimidoyl]-L-ornithine | | Formula: | C9 H21 N5 O2 | | SMILES: | NC(C(O)=O)CCCNC(=N)NCCCN | | InChi: | InChI=1S/C9H21N5O2/c10-4-2-6-14-9(12)13-5-1-3-7(11)8(15)16/h7H,1-6,10-11H2,(H,15,16)(H3,12,13,14)/t7-/m0/s1 | | Definition date: | 2017-09-13 | | Last modified: | 2023-11-03 | | Release date: | 2017-12-13 | | Identifier: | N~5~-[N-(3-aminopropyl)carbamimidoyl]-L-ornithine |
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 | | PXU | | Name: | 2-hydroxy-L-proline | | Formula: | C5 H9 N O3 | | SMILES: | O=C(O)C1(O)NCCC1 | | InChi: | InChI=1S/C5H9NO3/c7-4(8)5(9)2-1-3-6-5/h6,9H,1-3H2,(H,7,8)/t5-/m1/s1 | | Definition date: | 2012-10-03 | | Last modified: | 2023-11-03 | | Release date: | 2012-10-05 | | Identifier: | 2-hydroxy-L-proline |
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 | | PYA | | Name: | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | | Formula: | C15 H13 N3 O2 | | SMILES: | O=C(O)C(N)Cc3nc2c(ccc1cccnc12)cc3 | | InChi: | InChI=1S/C15H13N3O2/c16-12(15(19)20)8-11-6-5-10-4-3-9-2-1-7-17-13(9)14(10)18-11/h1-7,12H,8,16H2,(H,19,20)/t12-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 3-(1,10-phenanthrolin-2-yl)-L-alanine |
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 | | C67 | | Name: | N~5~-[N-(2-carboxyethyl)carbamimidoyl]-L-ornithine | | Formula: | C9 H18 N4 O4 | | SMILES: | NC(C(=O)O)CCCNC(=N)NCCC(O)=O | | InChi: | InChI=1S/C9H18N4O4/c10-6(8(16)17)2-1-4-12-9(11)13-5-3-7(14)15/h6H,1-5,10H2,(H,14,15)(H,16,17)(H3,11,12,13)/t6-/m0/s1 | | Definition date: | 2017-09-13 | | Last modified: | 2023-11-03 | | Release date: | 2017-12-13 | | Identifier: | N~5~-[N-(2-carboxyethyl)carbamimidoyl]-L-ornithine |
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 | | PZ6 | | Name: | (4S)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C20 H18 Cl N3 O2 | | SMILES: | Clc1ccc2OCCC(CN)(c2c1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C20H18ClN3O2/c21-14-5-6-18-16(9-14)20(12-22,7-8-26-18)19(25)24-17-11-23-10-13-3-1-2-4-15(13)17/h1-6,9-11H,7-8,12,22H2,(H,24,25)/t20-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | C6D | | Name: | N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-L-ornithine | | Formula: | C9 H20 N4 O3 | | SMILES: | NC(C(=O)O)CCCNC(=N)NCCCO | | InChi: | InChI=1S/C9H20N4O3/c10-7(8(15)16)3-1-4-12-9(11)13-5-2-6-14/h7,14H,1-6,10H2,(H,15,16)(H3,11,12,13)/t7-/m0/s1 | | Definition date: | 2017-09-13 | | Last modified: | 2023-11-03 | | Release date: | 2017-12-13 | | Identifier: | N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-L-ornithine |
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 | | Q0I | | Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C22 H19 Cl N2 O3 | | SMILES: | CCC(=O)N(c1cncc2ccccc21)C(=O)C1CCOc2ccc(Cl)cc21 | | InChi: | InChI=1S/C22H19ClN2O3/c1-2-21(26)25(19-13-24-12-14-5-3-4-6-16(14)19)22(27)17-9-10-28-20-8-7-15(23)11-18(17)20/h3-8,11-13,17H,2,9-10H2,1H3/t17-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | Q1C | | Name: | 2-(4-methylpiperidin-1-yl)-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C14 H21 N3 O | | SMILES: | O=C(CN1CCC(C)CC1)Nc1cnccc1C | | InChi: | InChI=1S/C14H21N3O/c1-11-4-7-17(8-5-11)10-14(18)16-13-9-15-6-3-12(13)2/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H,16,18) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(4-methylpiperidin-1-yl)-N-(4-methylpyridin-3-yl)acetamide |
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 | | Q1U | | Name: | 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide | | Formula: | C18 H15 Cl N2 O2 | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)OC | | InChi: | InChI=1S/C18H15ClN2O2/c1-23-15-6-5-13-10-20-11-17(16(13)9-15)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide |
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 | | C9K | | Name: | 2-[[(2~{S})-2-azanylpropyl]amino]ethanol | | Formula: | C5 H14 N2 O | | SMILES: | C[CH](N)CNCCO | | InChi: | InChI=1S/C5H14N2O/c1-5(6)4-7-2-3-8/h5,7-8H,2-4,6H2,1H3/t5-/m0/s1 | | Definition date: | 2017-11-23 | | Last modified: | 2023-11-03 | | Release date: | 2018-07-18 | | Identifier: | 2-[[(2~{S})-2-azanylpropyl]amino]ethanol |
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 | | Q2G | | Name: | N-(3-chlorophenyl)-N'-(4-methylpyridin-3-yl)urea | | Formula: | C13 H12 Cl N3 O | | SMILES: | O=C(Nc1cnccc1C)Nc1cccc(Cl)c1 | | InChi: | InChI=1S/C13H12ClN3O/c1-9-5-6-15-8-12(9)17-13(18)16-11-4-2-3-10(14)7-11/h2-8H,1H3,(H2,16,17,18) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(3-chlorophenyl)-N'-(4-methylpyridin-3-yl)urea |
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 | | C9N | | Name: | 2-[[(2~{S})-2-azanylpropyl]-methyl-amino]ethanol | | Formula: | C6 H16 N2 O | | SMILES: | C[CH](N)CN(C)CCO | | InChi: | InChI=1S/C6H16N2O/c1-6(7)5-8(2)3-4-9/h6,9H,3-5,7H2,1-2H3/t6-/m0/s1 | | Definition date: | 2017-11-23 | | Last modified: | 2023-11-03 | | Release date: | 2018-07-18 | | Identifier: | 2-[[(2~{S})-2-azanylpropyl]-methyl-amino]ethanol |
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 | | Q2K | | Name: | 2-[2-(3-methylsulfanylpropanimidoyl)-4,5-bis(oxidanylidene)imidazol-1-yl]ethanoic acid | | Formula: | C9 H11 N3 O4 S | | SMILES: | CSCCC(=N)C1=NC(=O)C(=O)N1CC(O)=O | | InChi: | InChI=1S/C9H11N3O4S/c1-17-3-2-5(10)7-11-8(15)9(16)12(7)4-6(13)14/h10H,2-4H2,1H3,(H,13,14)/b10-5- | | Synonyms: | CHROMOPHORE (MET-TYR-GLY) | | Definition date: | 2022-10-11 | | Last modified: | 2023-11-03 | | Release date: | 2023-02-15 | | Identifier: | 2-[2-(3-methylsulfanylpropanimidoyl)-4,5-bis(oxidanylidene)imidazol-1-yl]ethanoic acid |
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 | | Q2U | | Name: | N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide | | Formula: | C19 H18 N2 O4 | | SMILES: | COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2ccccc21 | | InChi: | InChI=1S/C19H18N2O4/c1-24-16-8-4-5-9-17(16)25-11-10-20-19(23)14-12-18(22)21-15-7-3-2-6-13(14)15/h2-9,12H,10-11H2,1H3,(H,20,23)(H,21,22) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide |
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 | | Q36 | | Name: | (2R)-2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)propanamide | | Formula: | C16 H15 N3 O | | SMILES: | O=C(Nc1cnccc1C)C(C)c1cccc(C#N)c1 | | InChi: | InChI=1S/C16H15N3O/c1-11-6-7-18-10-15(11)19-16(20)12(2)14-5-3-4-13(8-14)9-17/h3-8,10,12H,1-2H3,(H,19,20)/t12-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2R)-2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)propanamide |
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 | | Q3S | | Name: | (2R,3S)-2,3-diaminobutanoic acid | | Formula: | C4 H10 N2 O2 | | SMILES: | NC(C(O)=O)C(C)N | | InChi: | InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3+/m0/s1 | | Definition date: | 2019-09-16 | | Last modified: | 2023-11-03 | | Release date: | 2019-11-27 | | Identifier: | (2R,3S)-2,3-diaminobutanoic acid |
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 | | Q3U | | Name: | N-(5-aminopyridin-3-yl)-N'-(3-chlorophenyl)urea | | Formula: | C12 H11 Cl N4 O | | SMILES: | O=C(Nc1cc(N)cnc1)Nc1cccc(Cl)c1 | | InChi: | InChI=1S/C12H11ClN4O/c13-8-2-1-3-10(4-8)16-12(18)17-11-5-9(14)6-15-7-11/h1-7H,14H2,(H2,16,17,18) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(5-aminopyridin-3-yl)-N'-(3-chlorophenyl)urea |
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 | | Q4R | | Name: | N~2~-methyl-N-(4-methylpyridin-3-yl)-N~2~-(quinoline-8-sulfonyl)glycinamide | | Formula: | C18 H18 N4 O3 S | | SMILES: | O=C(Nc1cnccc1C)CN(C)S(=O)(=O)c1cccc2cccnc21 | | InChi: | InChI=1S/C18H18N4O3S/c1-13-8-10-19-11-15(13)21-17(23)12-22(2)26(24,25)16-7-3-5-14-6-4-9-20-18(14)16/h3-11H,12H2,1-2H3,(H,21,23) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N~2~-methyl-N-(4-methylpyridin-3-yl)-N~2~-(quinoline-8-sulfonyl)glycinamide |
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 | | Q5C | | Name: | N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide | | Formula: | C15 H16 N4 O2 | | SMILES: | O=C(Nc1cnccc1C)CNC(=O)Cc1cccnc1 | | InChi: | InChI=1S/C15H16N4O2/c1-11-4-6-17-9-13(11)19-15(21)10-18-14(20)7-12-3-2-5-16-8-12/h2-6,8-9H,7,10H2,1H3,(H,18,20)(H,19,21) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide |
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 | | Q5K | | Name: | (2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide | | Formula: | C19 H16 F N3 O4 S | | SMILES: | OC(C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccnc1 | | InChi: | InChI=1S/C19H16FN3O4S/c20-14-7-9-15(10-8-14)28(26,27)23-17-6-2-1-5-16(17)22-19(25)18(24)13-4-3-11-21-12-13/h1-12,18,23-24H,(H,22,25)/t18-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide |
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