 | | WLU | | Name: | (4R)-5-hydroxy-N-methyl-L-leucine | | Formula: | C7 H15 N O3 | | SMILES: | O=C(O)C(NC)CC(C)CO | | InChi: | InChI=1S/C7H15NO3/c1-5(4-9)3-6(8-2)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1 | | Definition date: | 2013-06-18 | | Last modified: | 2023-11-03 | | Release date: | 2013-09-18 | | Identifier: | (4R)-5-hydroxy-N-methyl-L-leucine |
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 | | XZP | | Name: | (1R,2R)-2-aminocyclopentane-1-carboxylic acid | | Formula: | C6 H11 N O2 | | SMILES: | O=C(C1CCCC1N)O | | InChi: | InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m1/s1 | | Definition date: | 2017-05-18 | | Last modified: | 2023-11-03 | | Release date: | 2018-02-21 | | Identifier: | (1R,2R)-2-aminocyclopentane-1-carboxylic acid |
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 | | YHA | | Name: | Homocitrulline | | Formula: | C7 H15 N3 O3 | | SMILES: | NC(CCCCNC(N)=O)C(=O)O | | InChi: | InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1 | | Synonyms: | N~6~-carbamoyl-L-lysine | | Definition date: | 2021-03-04 | | Last modified: | 2023-11-03 | | Release date: | 2022-05-25 | | Identifier: | N~6~-carbamoyl-L-lysine |
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 | | KO9 | | Name: | N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide | | Formula: | C13 H10 N4 O | | SMILES: | O=C(Nc1cc(cnc1)C#N)Cc1cccnc1 | | InChi: | InChI=1S/C13H10N4O/c14-6-11-4-12(9-16-8-11)17-13(18)5-10-2-1-3-15-7-10/h1-4,7-9H,5H2,(H,17,18) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide |
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 | | V8N | | Name: | 2-[3-(aminomethyl)phenyl]ethanoic acid | | Formula: | C9 H11 N O2 | | SMILES: | NCc1cccc(CC(O)=O)c1 | | InChi: | InChI=1S/C9H11NO2/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12) | | Definition date: | 2021-04-29 | | Last modified: | 2023-11-03 | | Release date: | 2022-04-06 | | Identifier: | 2-[3-(aminomethyl)phenyl]ethanoic acid |
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 | | VO8 | | Name: | 5-(2-{2-[2-oxo-3-(prop-2-enoyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethoxy}phenoxy)naphthalene-2-carbonitrile | | Formula: | C29 H23 N3 O4 | | SMILES: | N#Cc1ccc2c(c1)cccc2Oc1ccccc1OCCN1c2ccccc2N(C(=O)CC)C1=O | | InChi: | InChI=1S/C29H23N3O4/c1-2-28(33)32-24-10-4-3-9-23(24)31(29(32)34)16-17-35-26-11-5-6-12-27(26)36-25-13-7-8-21-18-20(19-30)14-15-22(21)25/h3-15,18H,2,16-17H2,1H3 | | Definition date: | 2023-09-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 5-{2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile |
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 | | KOI | | Name: | 2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide | | Formula: | C13 H11 Cl N2 O | | SMILES: | O=C(Nc1cccnc1)Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C13H11ClN2O/c14-11-4-1-3-10(7-11)8-13(17)16-12-5-2-6-15-9-12/h1-7,9H,8H2,(H,16,17) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide |
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 | | VOI | | Name: | 3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide | | Formula: | C20 H19 N3 O3 | | SMILES: | CN(C)C(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N | | InChi: | InChI=1S/C20H19N3O3/c1-22(2)20(24)9-11-25-18-6-3-4-7-19(18)26-17-8-5-10-23-14-15(13-21)12-16(17)23/h3-8,10,12,14H,9,11H2,1-2H3 | | Definition date: | 2023-09-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide |
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 | | VOL | | Name: | L-VALINOL | | Formula: | C5 H13 N O | | SMILES: | OCC(N)C(C)C | | InChi: | InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1 | | Definition date: | 2002-06-26 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-amino-3-methylbutan-1-ol |
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 | | UU4 | | Name: | (2S)-2-amino-4-(L-serylamino)butanoic acid | | Formula: | C7 H15 N3 O4 | | SMILES: | O=C(NCCC(C(=O)O)N)C(N)CO | | InChi: | InChI=1S/C7H15N3O4/c8-4(7(13)14)1-2-10-6(12)5(9)3-11/h4-5,11H,1-3,8-9H2,(H,10,12)(H,13,14)/t4-,5-/m0/s1 | | Definition date: | 2012-11-14 | | Last modified: | 2023-11-03 | | Release date: | 2013-08-21 | | Identifier: | (2S)-2-amino-4-(L-serylamino)butanoic acid |
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 | | UU5 | | Name: | (2S)-2-amino-4-[(oxoacetyl)amino]butanoic acid | | Formula: | C6 H10 N2 O4 | | SMILES: | O=C(O)C(N)CCNC(=O)C=O | | InChi: | InChI=1S/C6H10N2O4/c7-4(6(11)12)1-2-8-5(10)3-9/h3-4H,1-2,7H2,(H,8,10)(H,11,12)/t4-/m0/s1 | | Definition date: | 2012-11-12 | | Last modified: | 2023-11-03 | | Release date: | 2013-08-21 | | Identifier: | (2S)-2-amino-4-[(oxoacetyl)amino]butanoic acid |
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 | | V9C | | Name: | 2-phenylethylcarbamic acid | | Formula: | C9 H11 N O2 | | SMILES: | OC(=O)NCCc1ccccc1 | | InChi: | InChI=1S/C9H11NO2/c11-9(12)10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12) | | Definition date: | 2017-01-09 | | Last modified: | 2023-11-03 | | Release date: | 2017-11-15 | | Identifier: | 2-phenylethylcarbamic acid |
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 | | VOU | | Name: | (4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile | | Formula: | C22 H21 N3 O3 | | SMILES: | O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCCC1 | | InChi: | InChI=1S/C22H21N3O3/c23-15-17-14-18-19(8-5-12-25(18)16-17)28-21-7-2-1-6-20(21)27-13-9-22(26)24-10-3-4-11-24/h1-2,5-8,12,14,16H,3-4,9-11,13H2 | | Definition date: | 2023-09-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile |
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 | | KP0 | | Name: | N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea | | Formula: | C20 H24 Cl N3 O | | SMILES: | O=C(Nc1cccnc1)N(CCC1CCCCC1)c1cccc(Cl)c1 | | InChi: | InChI=1S/C20H24ClN3O/c21-17-8-4-10-19(14-17)24(13-11-16-6-2-1-3-7-16)20(25)23-18-9-5-12-22-15-18/h4-5,8-10,12,14-16H,1-3,6-7,11,13H2,(H,23,25) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea |
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 | | JG3 | | Name: | 1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline | | Formula: | C15 H22 N2 O3 | | SMILES: | O=C(O)C2N(CC(O)C(N)Cc1ccccc1)CCC2 | | InChi: | InChI=1S/C15H22N2O3/c16-12(9-11-5-2-1-3-6-11)14(18)10-17-8-4-7-13(17)15(19)20/h1-3,5-6,12-14,18H,4,7-10,16H2,(H,19,20)/t12-,13-,14-/m0/s1 | | Definition date: | 2010-09-13 | | Last modified: | 2023-11-03 | | Identifier: | 1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline |
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 | | VP2 | | Name: | 3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide | | Formula: | C20 H17 F2 N3 O3 | | SMILES: | FC(F)CNC(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N | | InChi: | InChI=1S/C20H17F2N3O3/c21-19(22)12-24-20(26)7-9-27-17-4-1-2-5-18(17)28-16-6-3-8-25-13-14(11-23)10-15(16)25/h1-6,8,10,13,19H,7,9,12H2,(H,24,26) | | Definition date: | 2023-09-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide |
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 | | V9M | | Name: | (3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium | | Formula: | C15 H32 N O2 | | SMILES: | C(C(C(C)C)[NH+](CCC(CC(C)(C)C)C)C)(O)=O | | InChi: | InChI=1S/C15H31NO2/c1-11(2)13(14(17)18)16(7)9-8-12(3)10-15(4,5)6/h11-13H,8-10H2,1-7H3,(H,17,18)/p+1/t12-,13-/m0/s1 | | Definition date: | 2020-07-21 | | Last modified: | 2023-11-03 | | Release date: | 2020-09-16 | | Identifier: | (3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium |
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 | | YYA | | Name: | 2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid | | Formula: | C11 H19 N O3 | | SMILES: | O=C(O)C(NC)C(O)C(CC=C/C=C)C | | InChi: | InChI=1S/C11H19NO3/c1-4-5-6-7-8(2)10(13)9(12-3)11(14)15/h4-6,8-10,12-13H,1,7H2,2-3H3,(H,14,15)/b6-5-/t8-,9+,10-/m1/s1 | | Definition date: | 2010-11-19 | | Last modified: | 2023-11-03 | | Identifier: | 2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid |
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 | | KPF | | Name: | N-(1-carboxy-2-fluoro-ethenyl) lysine | | Formula: | C9 H15 F N2 O4 | | SMILES: | N[CH](CCCCN=C(CF)C(O)=O)C(O)=O | | InChi: | InChI=1S/C9H15FN2O4/c10-5-7(9(15)16)12-4-2-1-3-6(11)8(13)14/h6H,1-5,11H2,(H,13,14)(H,15,16)/b12-7+/t6-/m0/s1 | | Definition date: | 2015-07-15 | | Last modified: | 2023-11-03 | | Release date: | 2015-11-18 | | Identifier: | (2S)-2-azanyl-6-[(Z)-(3-fluoranyl-1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]hexanoic acid |
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 | | VPB | | Name: | (4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile | | Formula: | C22 H21 N3 O4 | | SMILES: | O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCOCC1 | | InChi: | InChI=1S/C22H21N3O4/c23-15-17-14-18-19(6-3-8-25(18)16-17)29-21-5-2-1-4-20(21)28-11-7-22(26)24-9-12-27-13-10-24/h1-6,8,14,16H,7,9-13H2 | | Definition date: | 2023-09-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile |
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 | | KPN | | Name: | N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine | | Formula: | C16 H18 N4 O3 | | SMILES: | O=C(O)CN(C(=O)Cc2cnc(c1ncccc1)cc2)CCN | | InChi: | InChI=1S/C16H18N4O3/c17-6-8-20(11-16(22)23)15(21)9-12-4-5-14(19-10-12)13-3-1-2-7-18-13/h1-5,7,10H,6,8-9,11,17H2,(H,22,23) | | Definition date: | 2010-04-20 | | Last modified: | 2023-11-03 | | Identifier: | N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine |
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 | | U2M | | Name: | (2S)-2-amino-7-sulfanylheptanoic acid | | Formula: | C7 H15 N O2 S | | SMILES: | NC(C(O)=O)CCCCCS | | InChi: | InChI=1S/C7H15NO2S/c8-6(7(9)10)4-2-1-3-5-11/h6,11H,1-5,8H2,(H,9,10)/t6-/m0/s1 | | Definition date: | 2020-04-09 | | Last modified: | 2023-11-03 | | Release date: | 2021-04-21 | | Identifier: | (2S)-2-amino-7-sulfanylheptanoic acid |
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 | | KPY | | Name: | (2R)-2-AZANYL-3-[2-[(E)-(1-OXIDANYL-1-OXIDANYLIDENE-PROPAN-2-YLIDENE)AMINO]ETHYLSULFANYL]PROPANOIC ACID | | Formula: | C8 H14 N2 O4 S | | SMILES: | O=C(O)C(N)CSCC/N=C(/C(=O)O)C | | InChi: | InChI=1S/C8H14N2O4S/c1-5(7(11)12)10-2-3-15-4-6(9)8(13)14/h6H,2-4,9H2,1H3,(H,11,12)(H,13,14)/b10-5+/t6-/m0/s1 | | Synonyms: | PYRUVOYL-L-THIALYSINE | | Definition date: | 2012-02-03 | | Last modified: | 2023-11-03 | | Release date: | 2013-01-18 | | Identifier: | S-{2-[(E)-(1-carboxyethylidene)amino]ethyl}-L-cysteine |
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 | | KQ3 | | Name: | N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea | | Formula: | C18 H21 Cl N4 O2 | | SMILES: | Clc1cccc(c1)N(CCN1CCOCC1)C(=O)Nc1cccnc1 | | InChi: | InChI=1S/C18H21ClN4O2/c19-15-3-1-5-17(13-15)23(8-7-22-9-11-25-12-10-22)18(24)21-16-4-2-6-20-14-16/h1-6,13-14H,7-12H2,(H,21,24) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea |
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 | | VPV | | Name: | (2E,4R)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid | | Formula: | C13 H22 N2 O7 | | SMILES: | C(=O)(O)C(N)CCCC/N=C(/C(O)=O)CC(CCC(=O)O)O | | InChi: | InChI=1S/C13H22N2O7/c14-9(12(19)20)3-1-2-6-15-10(13(21)22)7-8(16)4-5-11(17)18/h8-9,16H,1-7,14H2,(H,17,18)(H,19,20)(H,21,22)/b15-10+/t8-,9+/m1/s1 | | Definition date: | 2020-09-02 | | Last modified: | 2023-11-03 | | Release date: | 2021-09-22 | | Identifier: | (2E,4R)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid |
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