 | | RS6 | | Name: | (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H22 Cl F N4 O3 | | SMILES: | Fc1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC(C)C)C(=O)c2ccc(Cl)cc21 | | InChi: | InChI=1S/C24H22ClFN4O3/c1-13(2)28-22(31)12-30-11-20(19-8-15(25)3-5-18(19)24(30)33)23(32)29-21-10-27-9-14-7-16(26)4-6-17(14)21/h3-10,13,20H,11-12H2,1-2H3,(H,28,31)(H,29,32)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | QZC | | Name: | (4S)-6-chloro-2-(dimethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C21 H21 Cl N4 O3 S | | SMILES: | CN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C21H21ClN4O3S/c1-25(2)30(28,29)26-12-15-7-8-16(22)9-18(15)19(13-26)21(27)24-20-11-23-10-14-5-3-4-6-17(14)20/h3-11,19H,12-13H2,1-2H3,(H,24,27)/t19-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-(dimethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | QZL | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-3-methylpyrrolidine-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H25 Cl N4 O3 S | | SMILES: | O=S(=O)(N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21)N1CCC(C)C1 | | InChi: | InChI=1S/C24H25ClN4O3S/c1-16-8-9-28(13-16)33(31,32)29-14-18-6-7-19(25)10-21(18)22(15-29)24(30)27-23-12-26-11-17-4-2-3-5-20(17)23/h2-7,10-12,16,22H,8-9,13-15H2,1H3,(H,27,30)/t16-,22-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-3-methylpyrrolidine-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | REU | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C23 H23 Cl N4 O2 | | SMILES: | CNC(=O)C(C)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C23H23ClN4O2/c1-14(22(29)25-2)28-12-16-7-8-17(24)9-19(16)20(13-28)23(30)27-21-11-26-10-15-5-3-4-6-18(15)21/h3-11,14,20H,12-13H2,1-2H3,(H,25,29)(H,27,30)/t14-,20+/m0/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | R08 | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H20 Cl N5 O2 | | SMILES: | O=C(N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21)c1ccnn1C | | InChi: | InChI=1S/C24H20ClN5O2/c1-29-22(8-9-27-29)24(32)30-13-16-6-7-17(25)10-19(16)20(14-30)23(31)28-21-12-26-11-15-4-2-3-5-18(15)21/h2-12,20H,13-14H2,1H3,(H,28,31)/t20-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RT4 | | Name: | (4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H21 Cl N4 O3 | | SMILES: | Clc1ccc2C(=O)N(CC(c2c1)C(=O)Nc1cncc2ccccc21)CC(=O)NC1CC1 | | InChi: | InChI=1S/C24H21ClN4O3/c25-15-5-8-18-19(9-15)20(12-29(24(18)32)13-22(30)27-16-6-7-16)23(31)28-21-11-26-10-14-3-1-2-4-17(14)21/h1-5,8-11,16,20H,6-7,12-13H2,(H,27,30)(H,28,31)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RFF | | Name: | (4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C22 H21 Cl N6 O3 S | | SMILES: | Cn1ncc2cncc(NC(=O)C3CN(Cc4ccc(Cl)cc43)S(=O)(=O)CC3(C#N)CC3)c12 | | InChi: | InChI=1S/C22H21ClN6O3S/c1-28-20-15(8-26-28)7-25-9-19(20)27-21(30)18-11-29(10-14-2-3-16(23)6-17(14)18)33(31,32)13-22(12-24)4-5-22/h2-3,6-9,18H,4-5,10-11,13H2,1H3,(H,27,30)/t18-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | R0F | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C22 H21 Cl N4 O2 | | SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C22H21ClN4O2/c1-24-21(28)13-27-11-15-6-7-16(23)8-18(15)19(12-27)22(29)26-20-10-25-9-14-4-2-3-5-17(14)20/h2-10,19H,11-13H2,1H3,(H,24,28)(H,26,29)/t19-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RT9 | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H22 Cl N3 O5 S | | SMILES: | COC1(CC1)CS(=O)(=O)N1CC(c2cc(Cl)ccc2C1=O)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C24H22ClN3O5S/c1-33-24(8-9-24)14-34(31,32)28-13-20(19-10-16(25)6-7-18(19)23(28)30)22(29)27-21-12-26-11-15-4-2-3-5-17(15)21/h2-7,10-12,20H,8-9,13-14H2,1H3,(H,27,29)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | LM0 | | Name: | (3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide | | Formula: | C14 H17 N3 O3 | | SMILES: | CC(=O)NNC(=O)C1Cc2ccccc2CN1C(C)=O | | InChi: | InChI=1S/C14H17N3O3/c1-9(18)15-16-14(20)13-7-11-5-3-4-6-12(11)8-17(13)10(2)19/h3-6,13H,7-8H2,1-2H3,(H,15,18)(H,16,20)/t13-/m0/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide |
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 | | LOU | | Name: | 3-[(3aR,4S,7S,7aS)-2-(carboxymethyl)-1,3-dioxooctahydro-4H-4,7-epoxyisoindol-4-yl]-L-alanine | | Formula: | C13 H16 N2 O7 | | SMILES: | C(CN1C(C2C(C1=O)C3OC2(CC(N)C(=O)O)CC3)=O)(=O)O | | InChi: | InChI=1S/C13H16N2O7/c14-5(12(20)21)3-13-2-1-6(22-13)8-9(13)11(19)15(10(8)18)4-7(16)17/h5-6,8-9H,1-4,14H2,(H,16,17)(H,20,21)/t5-,6-,8+,9-,13-/m0/s1 | | Definition date: | 2019-07-01 | | Last modified: | 2023-11-03 | | Release date: | 2019-10-16 | | Identifier: | 3-[(3aR,4S,7S,7aS)-2-(carboxymethyl)-1,3-dioxooctahydro-4H-4,7-epoxyisoindol-4-yl]-L-alanine |
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 | | LQU | | Name: | 3-[(4R)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzonitrile | | Formula: | C18 H16 N2 O | | SMILES: | N#Cc1cccc(c1)C1CN(Cc2ccccc21)C(C)=O | | InChi: | InChI=1S/C18H16N2O/c1-13(21)20-11-16-6-2-3-8-17(16)18(12-20)15-7-4-5-14(9-15)10-19/h2-9,18H,11-12H2,1H3/t18-/m1/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 3-[(4R)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzonitrile |
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 | | MN8 | | Name: | 2-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BENZOPIPERIDINE | | Formula: | C16 H18 N2 O2 S | | SMILES: | O=C(O)c1nc(sc1C(C)C)C3NCc2ccccc2C3 | | InChi: | InChI=1S/C16H18N2O2S/c1-9(2)14-13(16(19)20)18-15(21-14)12-7-10-5-3-4-6-11(10)8-17-12/h3-6,9,12,17H,7-8H2,1-2H3,(H,19,20)/t12-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 5-(1-methylethyl)-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,3-thiazole-4-carboxylic acid |
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 | | 9VA | | Name: | 3-[(2S,5S)-5-(hydroxymethyl)-6-oxo-1,2,5,6-tetrahydropyrazin-2-yl]propanamide | | Formula: | C8 H13 N3 O3 | | SMILES: | C1=NC(CO)C(NC1CCC(=O)N)=O | | InChi: | InChI=1S/C8H13N3O3/c9-7(13)2-1-5-3-10-6(4-12)8(14)11-5/h3,5-6,12H,1-2,4H2,(H2,9,13)(H,11,14)/t5-,6-/m0/s1 | | Definition date: | 2017-06-13 | | Last modified: | 2023-11-03 | | Release date: | 2017-08-30 | | Identifier: | 3-[(2S,5S)-5-(hydroxymethyl)-6-oxo-1,2,5,6-tetrahydropyrazin-2-yl]propanamide |
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 | | CH7 | | Name: | [(4Z)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-2-(3,4,5,6-TETRAHYDROPYRIDIN-2-YL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID | | Formula: | C17 H17 N3 O4 | | SMILES: | O=C2C(N=C(C1=NCCCC1)N2CC(=O)O)=Cc3ccc(O)cc3 | | InChi: | InChI=1S/C17H17N3O4/c21-12-6-4-11(5-7-12)9-14-17(24)20(10-15(22)23)16(19-14)13-3-1-2-8-18-13/h4-7,9,21H,1-3,8,10H2,(H,22,23)/b14-9- | | Synonyms: | CHROMOPHORE (LYS-TYR-GLY) | | Definition date: | 2004-08-31 | | Last modified: | 2023-11-03 | | Identifier: | [(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-(3,4,5,6-tetrahydropyridin-2-yl)-4,5-dihydro-1H-imidazol-1-yl]acetic 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: | 2023-11-03 | | Release date: | 2015-02-11 | | Identifier: | 1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid |
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 | | 9DQ | | Name: | (2~{S})-2-azanyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)propanoic acid | | Formula: | C4 H7 N5 O2 | | SMILES: | N[CH](Cc1[nH]nnn1)C(O)=O | | InChi: | InChI=1S/C4H7N5O2/c5-2(4(10)11)1-3-6-8-9-7-3/h2H,1,5H2,(H,10,11)(H,6,7,8,9)/t2-/m0/s1 | | Definition date: | 2017-05-11 | | Last modified: | 2023-11-03 | | Release date: | 2017-06-14 | | Identifier: | (2~{S})-2-azanyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)propanoic acid |
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 | | FZN | | Name: | (2S)-2-amino-6-{[(1Z)-1-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid | | Formula: | C23 H37 N7 O15 P2 S | | SMILES: | O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC4OC(SC(=N/CCCCC(C(=O)O)N)C)C(O)C4O | | InChi: | InChI=1S/C23H37N7O15P2S/c1-10(26-5-3-2-4-11(24)22(35)36)48-23-18(34)16(32)13(44-23)7-42-47(39,40)45-46(37,38)41-6-12-15(31)17(33)21(43-12)30-9-29-14-19(25)27-8-28-20(14)30/h8-9,11-13,15-18,21,23,31-34H,2-7,24H2,1H3,(H,35,36)(H,37,38)(H,39,40)(H2,25,27,28)/b26-10-/t11-,12+,13+,15+,16+,17+,18+,21+,23+/m0/s1 | | Definition date: | 2008-06-18 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-amino-6-{[(1Z)-1-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid (non-preferred name) |
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 | | DM0 | | Name: | N~2~,N~2~,N~6~,N~6~-tetramethyl-L-lysine | | Formula: | C10 H22 N2 O2 | | SMILES: | O=C(O)C(N(C)C)CCCCN(C)C | | InChi: | InChI=1S/C10H22N2O2/c1-11(2)8-6-5-7-9(10(13)14)12(3)4/h9H,5-8H2,1-4H3,(H,13,14)/t9-/m0/s1 | | Definition date: | 2008-03-25 | | Last modified: | 2023-11-03 | | Identifier: | N~2~,N~2~,N~6~,N~6~-tetramethyl-L-lysine |
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 | | AFC | | Name: | (3R,12R)-3-amino-12-methyltetradecanoic acid | | Formula: | C15 H31 N O2 | | SMILES: | O=C(O)CC(N)CCCCCCCCC(C)CC | | InChi: | InChI=1S/C15H31NO2/c1-3-13(2)10-8-6-4-5-7-9-11-14(16)12-15(17)18/h13-14H,3-12,16H2,1-2H3,(H,17,18)/t13-,14-/m1/s1 | | Definition date: | 2006-09-27 | | Last modified: | 2023-11-03 | | Identifier: | (3R,12R)-3-amino-12-methyltetradecanoic acid |
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 | | AHP | | Name: | 2-AMINO-HEPTANOIC ACID | | Formula: | C7 H15 N O2 | | SMILES: | O=C(O)C(N)CCCCC | | InChi: | InChI=1S/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1 | | Definition date: | 2000-06-15 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-aminoheptanoic acid |
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 | | 2L6 | | Name: | (3S,6R,8aS)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid | | Formula: | C12 H16 N2 O3 | | SMILES: | O=C(O)C3N2C(=O)C1(NCCC1)C=CC2CC3 | | InChi: | InChI=1S/C12H16N2O3/c15-10(16)9-3-2-8-4-6-12(5-1-7-13-12)11(17)14(8)9/h4,6,8-9,13H,1-3,5,7H2,(H,15,16)/t8-,9-,12+/m0/s1 | | Definition date: | 2013-11-25 | | Last modified: | 2023-11-03 | | Release date: | 2014-10-15 | | Identifier: | (3S,6R,8aS)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid |
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 | | 4H0 | | Name: | (3S)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid | | Formula: | C11 H9 F4 N O4 | | SMILES: | O=C(O)CC(C(=O)COc1c(F)c(F)cc(F)c1F)N | | InChi: | InChI=1S/C11H9F4NO4/c12-4-1-5(13)10(15)11(9(4)14)20-3-7(17)6(16)2-8(18)19/h1,6H,2-3,16H2,(H,18,19)/t6-/m0/s1 | | Definition date: | 2012-12-13 | | Last modified: | 2023-11-03 | | Release date: | 2013-03-20 | | Identifier: | (3S)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid |
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 | | DI8 | | Name: | (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | | Formula: | C10 H11 N O2 | | SMILES: | O=C(O)C2NCc1ccccc1C2 | | InChi: | InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1 | | Definition date: | 2014-12-10 | | Last modified: | 2023-11-03 | | Release date: | 2015-01-14 | | Identifier: | (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
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 | | DJD | | Name: | 4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine | | Formula: | C12 H13 N5 O2 | | SMILES: | NC(Cc1ccc(cc1)c2nnc(C)nn2)C(O)=O | | InChi: | InChI=1S/C12H13N5O2/c1-7-14-16-11(17-15-7)9-4-2-8(3-5-9)6-10(13)12(18)19/h2-5,10H,6,13H2,1H3,(H,18,19)/t10-/m0/s1 | | Definition date: | 2017-10-26 | | Last modified: | 2023-11-03 | | Release date: | 2019-10-02 | | Identifier: | 4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine |
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