 | | WWB | | Name: | 5-(3-methylbut-2-en-1-yl)-L-tryptophan | | Formula: | C16 H20 N2 O2 | | SMILES: | O=C(O)C(N)Cc1c[NH]c2ccc(cc21)CC=C(/C)C | | InChi: | InChI=1S/C16H20N2O2/c1-10(2)3-4-11-5-6-15-13(7-11)12(9-18-15)8-14(17)16(19)20/h3,5-7,9,14,18H,4,8,17H2,1-2H3,(H,19,20)/t14-/m0/s1 | | Definition date: | 2023-10-16 | | Last modified: | 2024-09-27 | | Release date: | 2024-09-25 | | Identifier: | 5-(3-methylbut-2-en-1-yl)-L-tryptophan |
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 | | R74 | | Name: | N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide | | Formula: | C18 H19 N3 O4 S | | SMILES: | O=C(C(CS)NC(Cc2ccc1OCOc1c2)=O)NCc3ccncc3 | | InChi: | InChI=1S/C18H19N3O4S/c22-17(8-13-1-2-15-16(7-13)25-11-24-15)21-14(10-26)18(23)20-9-12-3-5-19-6-4-12/h1-7,14,26H,8-11H2,(H,20,23)(H,21,22)/t14-/m0/s1 | | Definition date: | 2020-02-04 | | Last modified: | 2024-09-27 | | Release date: | 2020-08-05 | | Identifier: | N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide |
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 | | ORN | | Name: | L-ornithine | | Formula: | C5 H12 N2 O2 | | SMILES: | O=C(O)C(N)CCCN | | InChi: | InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | L-ornithine |
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 | | 4N1 | | Name: | 4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium | | Formula: | C16 H19 N4 O2 S | | SMILES: | c1(OC)nc2c(cc1)nc(n2)[n+]3c(c(c(OC)c(c3)C)C)CS | | InChi: | InChI=1S/C16H18N4O2S/c1-9-7-20(12(8-23)10(2)14(9)22-4)16-17-11-5-6-13(21-3)18-15(11)19-16/h5-7H,8H2,1-4H3,(H-,17,18,19,23)/p+1 | | Definition date: | 2016-04-01 | | Last modified: | 2024-09-27 | | Release date: | 2017-11-15 | | Identifier: | 4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium |
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 | | MPC | | Name: | (1S)-MENTHYL HEXYL PHOSPHONATE GROUP | | Formula: | C16 H33 O3 P | | SMILES: | O=P(OC1CC(CCC1C(C)C)C)(O)CCCCCC | | InChi: | InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl hydrogen (S)-hexylphosphonate |
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 | | P7T | | Name: | 4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde | | Formula: | C13 H17 N O4 S | | SMILES: | C[CH]1CN(C[CH](C)O1)[S](=O)(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C13H17NO4S/c1-10-7-14(8-11(2)18-10)19(16,17)13-5-3-12(9-15)4-6-13/h3-6,9-11H,7-8H2,1-2H3/t10-,11+ | | Definition date: | 2020-04-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-09-23 | | Identifier: | 4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde |
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 | | QFP | | Name: | 2-hydroxyethyl hydrogen phenylboronate | | Formula: | C8 H11 B O3 | | SMILES: | c1ccccc1B(OCCO)O | | InChi: | InChI=1S/C8H11BO3/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5,10-11H,6-7H2 | | Definition date: | 2019-10-23 | | Last modified: | 2024-09-27 | | Release date: | 2019-10-30 | | Identifier: | 2-hydroxyethyl hydrogen phenylboronate |
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 | | 4N2 | | Name: | beta-L-idopyranose | | Formula: | C6 H12 O6 | | SMILES: | C1(OC(C(C(C1O)O)O)CO)O | | InChi: | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6-/m0/s1 | | Synonyms: | beta-L-idose | | Definition date: | 2016-03-21 | | Last modified: | 2024-09-27 | | Release date: | 2016-06-08 | | Identifier: | beta-L-idopyranose |
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 | | ORT | | Name: | (4~{S})-4-azanyl-5-oxidanylidene-pentanehydrazide | | Formula: | C5 H11 N3 O3 | | SMILES: | NNC(=O)CC[CH](N)C(O)=O | | InChi: | InChI=1S/C5H11N3O3/c6-3(5(10)11)1-2-4(9)8-7/h3H,1-2,6-7H2,(H,8,9)(H,10,11)/t3-/m0/s1 | | Definition date: | 2020-04-01 | | Last modified: | 2024-09-27 | | Release date: | 2020-07-01 | | Identifier: | (2~{S})-2-azanyl-5-diazanyl-5-oxidanylidene-pentanoic acid |
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 | | P7U | | Name: | {(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile | | Formula: | C35 H37 Cl F N7 O5 | | SMILES: | CC(O)C(O)(O)C(=O)N1CCN(CC1CC#N)c1nc(nc2c(F)c(ncc21)c1cccc2cccc(Cl)c21)OCC12CCCN2CCC1 | | InChi: | InChI=1S/C35H37ClFN7O5/c1-21(45)35(47,48)32(46)44-17-16-42(19-23(44)10-13-38)31-25-18-39-29(24-8-2-6-22-7-3-9-26(36)27(22)24)28(37)30(25)40-33(41-31)49-20-34-11-4-14-43(34)15-5-12-34/h2-3,6-9,18,21,23,45,47-48H,4-5,10-12,14-17,19-20H2,1H3/t21-,23-/m0/s1 | | Definition date: | 2022-05-25 | | Last modified: | 2024-09-27 | | Release date: | 2022-08-31 | | Identifier: | {(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile |
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 | | 4N3 | | Name: | N-octanoyl-D-valine | | Formula: | C13 H25 N O3 | | SMILES: | N(C(C(C)C)C(=O)O)C(=O)CCCCCCC | | InChi: | InChI=1S/C13H25NO3/c1-4-5-6-7-8-9-11(15)14-12(10(2)3)13(16)17/h10,12H,4-9H2,1-3H3,(H,14,15)(H,16,17)/t12-/m1/s1 | | Definition date: | 2016-05-23 | | Last modified: | 2024-09-27 | | Release date: | 2016-09-28 | | Identifier: | N-octanoyl-D-valine |
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 | | A1IEY | | Name: | (5-chloranylpyridin-3-yl) 2-fluoranyl-4-phenylmethoxy-benzoate | | Formula: | C19 H13 Cl F N O3 | | SMILES: | Fc1cc(OCc2ccccc2)ccc1C(=O)Oc3cncc(Cl)c3 | | InChi: | InChI=1S/C19H13ClFNO3/c20-14-8-16(11-22-10-14)25-19(23)17-7-6-15(9-18(17)21)24-12-13-4-2-1-3-5-13/h1-11H,12H2 | | Definition date: | 2024-06-17 | | Last modified: | 2024-09-27 | | Release date: | 2024-08-28 | | Identifier: | (5-chloranylpyridin-3-yl) 2-fluoranyl-4-phenylmethoxy-benzoate |
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 | | MPE | | Name: | (1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-ACETIC ACID | | Formula: | C12 H14 N2 O3 S | | SMILES: | O=C(O)C(c2c1ccccc1nc2)NOCCS | | InChi: | InChI=1S/C12H14N2O3S/c15-12(16)11(14-17-5-6-18)9-7-13-10-4-2-1-3-8(9)10/h1-4,7,11,13-14,18H,5-6H2,(H,15,16)/t11-/m1/s1 | | Definition date: | 2002-07-03 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-1H-indol-3-yl[(2-sulfanylethoxy)amino]ethanoic acid |
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 | | 4N5 | | Name: | 1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-tetrazol-1-yl}phenyl)ethanone | | Formula: | C16 H13 Cl N4 O3 S | | SMILES: | CC(c1cccc(c1)n2c(nnn2)S(Cc3cccc(c3)Cl)(=O)=O)=O | | InChi: | InChI=1S/C16H13ClN4O3S/c1-11(22)13-5-3-7-15(9-13)21-16(18-19-20-21)25(23,24)10-12-4-2-6-14(17)8-12/h2-9H,10H2,1H3 | | Definition date: | 2015-04-19 | | Last modified: | 2024-09-27 | | Release date: | 2015-06-17 | | Identifier: | 1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-tetrazol-1-yl}phenyl)ethanone |
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 | | SE7 | | Name: | 2-AMINO-3-SELENINO-PROPIONIC ACID | | Formula: | C3 H7 N O4 Se | | SMILES: | O=C(O)C(N)C[Se](=O)O | | InChi: | InChI=1S/C3H7NO4Se/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1 | | Definition date: | 2013-12-19 | | Last modified: | 2024-09-27 | | Release date: | 2013-12-25 | | Identifier: | 3-selenino-L-alanine |
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 | | T7P | | Name: | N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide | | Formula: | C12 H12 F N O3 S | | SMILES: | C1(C=CS(C1)(=O)=O)N(C(C)=O)c2ccc(F)cc2 | | InChi: | InChI=1S/C12H12FNO3S/c1-9(15)14(11-4-2-10(13)3-5-11)12-6-7-18(16,17)8-12/h2-7,12H,8H2,1H3/t12-/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-fluorophenyl)acetamide |
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 | | 4N6 | | Name: | 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol | | Formula: | C8 H7 Cl N4 O4 | | SMILES: | [O-][N+](=O)c2c1nonc1c(cc2NCCO)Cl | | InChi: | InChI=1S/C8H7ClN4O4/c9-4-3-5(10-1-2-14)8(13(15)16)7-6(4)11-17-12-7/h3,10,14H,1-2H2 | | Definition date: | 2015-04-19 | | Last modified: | 2024-09-27 | | Release date: | 2015-07-29 | | Identifier: | 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol |
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 | | ORW | | Name: | 1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea | | Formula: | C17 H27 N5 O2 | | SMILES: | CC(C)C[CH](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C=N | | InChi: | InChI=1S/C17H27N5O2/c1-13(2)10-15(16(23)22(4)21(3)12-18)20-17(24)19-11-14-8-6-5-7-9-14/h5-9,12-13,15,18H,10-11H2,1-4H3,(H2,19,20,24)/b18-12-/t15-/m0/s1 | | Definition date: | 2020-04-01 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-16 | | Identifier: | 1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea |
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 | | 4N7 | | Name: | 1-[(1Z)-3-(4-methylphenyl)-3-oxo-1-phenylprop-1-en-1-yl]-L-proline | | Formula: | C21 H21 N O3 | | SMILES: | N1(C(C(O)=O)CCC1)/C(=CC(=O)c2ccc(cc2)C)c3ccccc3 | | InChi: | InChI=1S/C21H21NO3/c1-15-9-11-17(12-10-15)20(23)14-19(16-6-3-2-4-7-16)22-13-5-8-18(22)21(24)25/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3,(H,24,25)/b19-14-/t18-/m0/s1 | | Definition date: | 2015-04-20 | | Last modified: | 2024-09-27 | | Release date: | 2016-09-28 | | Identifier: | 1-[(1Z)-3-(4-methylphenyl)-3-oxo-1-phenylprop-1-en-1-yl]-L-proline |
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 | | R7A | | Name: | S-[(4-bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Formula: | C10 H17 Br N O3 S2 | | SMILES: | BrC1=C(C(N(O)C1(C)C)(C)C)CSS(=O)(=O)C | | InChi: | InChI=1S/C10H18BrNO3S2/c1-9(2)7(6-16-17(5,14)15)8(11)10(3,4)12(9)13/h13H,6H2,1-5H3 | | Definition date: | 2005-07-19 | | Last modified: | 2024-09-27 | | Identifier: | S-[(4-bromo-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate |
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 | | MAY | | Name: | METHYL ARACHIDONYL FLUOROPHOSPHONATE | | Formula: | C21 H36 F O2 P | | SMILES: | FP(=O)(OC)CCCCC=C/CC=C/CC=C/CC=C/CCCCC | | InChi: | InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-/t25-/m0/s1 | | Synonyms: | MAFP | | Definition date: | 2002-10-01 | | Last modified: | 2024-09-27 | | Identifier: | methyl (S)-(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-ylphosphonofluoridate |
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 | | ORX | | Name: | N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-ORNITHINE | | Formula: | C13 H22 N3 O7 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCN | | InChi: | InChI=1S/C13H22N3O7P/c1-8-12(17)10(6-16-11(13(18)19)3-2-4-14)9(5-15-8)7-23-24(20,21)22/h5,11,16-17H,2-4,6-7,14H2,1H3,(H,18,19)(H2,20,21,22)/t11-/m1/s1 | | Definition date: | 2003-02-10 | | Last modified: | 2024-09-27 | | Identifier: | N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-ornithine |
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 | | 4N8 | | Name: | 1-[(furan-2-ylmethyl)carbamothioyl]-L-proline | | Formula: | C11 H14 N2 O3 S | | SMILES: | C(C1N(CCC1)C(=S)NCc2occc2)(=O)O | | InChi: | InChI=1S/C11H14N2O3S/c14-10(15)9-4-1-5-13(9)11(17)12-7-8-3-2-6-16-8/h2-3,6,9H,1,4-5,7H2,(H,12,17)(H,14,15)/t9-/m0/s1 | | Definition date: | 2015-04-20 | | Last modified: | 2024-09-27 | | Release date: | 2016-09-28 | | Identifier: | 1-[(furan-2-ylmethyl)carbamothioyl]-L-proline |
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 | | T7S | | Name: | 1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one | | Formula: | C13 H22 N2 O2 | | SMILES: | N1(CCCCC1)C(C2CCN(CC2)C(C)=O)=O | | InChi: | InChI=1S/C13H22N2O2/c1-11(16)14-9-5-12(6-10-14)13(17)15-7-3-2-4-8-15/h12H,2-10H2,1H3 | | Definition date: | 2020-03-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-25 | | Identifier: | 1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one |
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 | | 4N9 | | Name: | 1-[(4-cyanobenzyl)carbamothioyl]-L-proline | | Formula: | C14 H15 N3 O2 S | | SMILES: | C(=O)(O)C2N(C(NCc1ccc(cc1)C#N)=S)CCC2 | | InChi: | InChI=1S/C14H15N3O2S/c15-8-10-3-5-11(6-4-10)9-16-14(20)17-7-1-2-12(17)13(18)19/h3-6,12H,1-2,7,9H2,(H,16,20)(H,18,19)/t12-/m0/s1 | | Definition date: | 2015-04-20 | | Last modified: | 2024-09-27 | | Release date: | 2016-09-28 | | Identifier: | 1-[(4-cyanobenzyl)carbamothioyl]-L-proline |
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