 | | PYR | | Name: | PYRUVIC ACID | | Formula: | C3 H4 O3 | | SMILES: | O=C(C(=O)O)C | | InChi: | InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6) | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 2-oxopropanoic acid |
|
 | | RZ4 | | Name: | O-tert-butyl-L-serine | | Formula: | C7 H15 N O3 | | SMILES: | O=C(O)C(N)COC(C)(C)C | | InChi: | InChI=1S/C7H15NO3/c1-7(2,3)11-4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1 | | Definition date: | 2011-09-23 | | Last modified: | 2023-11-03 | | Identifier: | O-tert-butyl-L-serine |
|
 | | NW0 | | Name: | 3-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide | | Formula: | C15 H15 Cl N2 O | | SMILES: | O=C(Nc1cnccc1C)CCc1cccc(Cl)c1 | | InChi: | InChI=1S/C15H15ClN2O/c1-11-7-8-17-10-14(11)18-15(19)6-5-12-3-2-4-13(16)9-12/h2-4,7-10H,5-6H2,1H3,(H,18,19) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 3-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide |
|
 | | 03Y | | Name: | 2-methyl-L-cysteine | | Formula: | C4 H9 N O2 S | | SMILES: | O=C(O)C(N)(C)CS | | InChi: | InChI=1S/C4H9NO2S/c1-4(5,2-8)3(6)7/h8H,2,5H2,1H3,(H,6,7)/t4-/m0/s1 | | Definition date: | 2011-05-04 | | Last modified: | 2023-11-03 | | Identifier: | 2-methyl-L-cysteine |
|
 | | 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 |
|
 | | 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 |
|
 | | RZU | | Name: | 1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide | | Formula: | C26 H23 Cl N4 O3 | | SMILES: | CNC(=O)C1(CC1)N1CC2(CCN(C2=O)c2cncc3ccccc32)c2cc(Cl)ccc2C1=O | | InChi: | InChI=1S/C26H23ClN4O3/c1-28-23(33)26(8-9-26)31-15-25(20-12-17(27)6-7-19(20)22(31)32)10-11-30(24(25)34)21-14-29-13-16-4-2-3-5-18(16)21/h2-7,12-14H,8-11,15H2,1H3,(H,28,33)/t25-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide |
|
 | | NIJ | | Name: | 3-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide | | Formula: | C15 H15 F N2 O | | SMILES: | O=C(Nc1cnccc1C)CCc1cccc(F)c1 | | InChi: | InChI=1S/C15H15FN2O/c1-11-7-8-17-10-14(11)18-15(19)6-5-12-3-2-4-13(16)9-12/h2-4,7-10H,5-6H2,1H3,(H,18,19) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 3-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide |
|
 | | PLF | | Name: | 2-[5-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID | | Formula: | C9 H14 N4 O2 | | SMILES: | O=C(O)C(n1nnc(c1)C2NCCC2)C | | InChi: | InChI=1S/C9H14N4O2/c1-6(9(14)15)13-5-8(11-12-13)7-3-2-4-10-7/h5-7,10H,2-4H2,1H3,(H,14,15)/t6-,7-/m0/s1 | | Definition date: | 2011-12-08 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-{4-[(2S)-pyrrolidin-2-yl]-1H-1,2,3-triazol-1-yl}propanoic acid |
|
 | | 5R5 | | Name: | methyl L-serinate | | Formula: | C4 H9 N O3 | | SMILES: | NC(C(=O)OC)CO | | InChi: | InChI=1S/C4H9NO3/c1-8-4(7)3(5)2-6/h3,6H,2,5H2,1H3/t3-/m0/s1 | | Synonyms: | methyl (2~{S})-2-azanyl-3-oxidanyl-propanoate | | Definition date: | 2015-11-13 | | Last modified: | 2023-11-03 | | Release date: | 2015-12-16 | | Identifier: | methyl L-serinate |
|
 | | OCS | | Name: | CYSTEINESULFONIC ACID | | Formula: | C3 H7 N O5 S | | SMILES: | O=S(=O)(O)CC(C(=O)O)N | | InChi: | InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 3-sulfo-L-alanine |
|
 | | NIY | | Name: | META-NITRO-TYROSINE | | Formula: | C9 H10 N2 O5 | | SMILES: | O=[N+]([O-])c1cc(ccc1O)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1 | | Definition date: | 2001-10-24 | | Last modified: | 2023-11-03 | | Identifier: | 3-nitro-L-tyrosine |
|
 | | 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 |
|
 | | OCY | | Name: | HYDROXYETHYLCYSTEINE | | Formula: | C5 H11 N O3 S | | SMILES: | O=C(O)C(N)CSCCO | | InChi: | InChI=1S/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | S-(2-hydroxyethyl)-L-cysteine |
|
 | | PLW | | Name: | (2S)-2-[5-(1S,2S)-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID | | Formula: | C10 H18 N4 O2 | | SMILES: | O=C(O)C(n1nncc1C(N)C(C)CC)C | | InChi: | InChI=1S/C10H18N4O2/c1-4-6(2)9(11)8-5-12-13-14(8)7(3)10(15)16/h5-7,9H,4,11H2,1-3H3,(H,15,16)/t6-,7-,9-/m0/s1 | | Definition date: | 2011-12-08 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-{5-[(1S,2S)-1-amino-2-methylbutyl]-1H-1,2,3-triazol-1-yl}propanoic acid |
|
 | | U2X | | Name: | O-(cyclohexylmethyl)-L-tyrosine | | Formula: | C16 H23 N O3 | | SMILES: | O=C(O)C(N)Cc2ccc(OCC1CCCCC1)cc2 | | InChi: | InChI=1S/C16H23NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11,17H2,(H,18,19)/t15-/m0/s1 | | Definition date: | 2012-01-12 | | Last modified: | 2023-11-03 | | Identifier: | O-(cyclohexylmethyl)-L-tyrosine |
|
 | | X5P | | Name: | 4-oxidanylidene-4-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid | | Formula: | C7 H11 N O5 | | SMILES: | C[CH](NC(=O)CCC(O)=O)C(O)=O | | InChi: | InChI=1S/C7H11NO5/c1-4(7(12)13)8-5(9)2-3-6(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t4-/m0/s1 | | Definition date: | 2023-05-31 | | Last modified: | 2023-11-03 | | Release date: | 2023-06-14 | | Identifier: | 4-oxidanylidene-4-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid |
|
 | | 05O | | Name: | (2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanal | | Formula: | C10 H10 F3 N O3 | | SMILES: | FC(F)(F)Oc1ccc(cc1)CC(N)C(=O)O | | InChi: | InChI=1S/C10H10F3NO3/c11-10(12,13)17-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1 | | Definition date: | 2021-06-02 | | Last modified: | 2023-11-03 | | Release date: | 2021-09-29 | | Identifier: | O-(trifluoromethyl)-L-tyrosine |
|
 | | PM3 | | Name: | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-PROPIONIC ACID | | Formula: | C10 H14 N O5 P | | SMILES: | O=C(O)C(N)Cc1ccc(cc1)CP(=O)(O)O | | InChi: | InChI=1S/C10H14NO5P/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H2,14,15,16)/t9-/m0/s1 | | Definition date: | 2006-05-03 | | Last modified: | 2023-11-03 | | Identifier: | 4-(phosphonomethyl)-L-phenylalanine |
|
 | | TOQ | | Name: | 6,7-dihydroxy-L-tryptophan | | Formula: | C11 H12 N2 O4 | | SMILES: | O=C(O)C(N)Cc2c1ccc(O)c(O)c1nc2 | | InChi: | InChI=1S/C11H12N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13-15H,3,12H2,(H,16,17)/t7-/m0/s1 | | Definition date: | 2011-07-22 | | Last modified: | 2023-11-03 | | Identifier: | 6,7-dihydroxy-L-tryptophan |
|
 | | 060 | | Name: | S-methyl-D-cysteine | | Formula: | C4 H9 N O2 S | | SMILES: | O=C(O)C(N)CSC | | InChi: | InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 | | Definition date: | 2013-01-25 | | Last modified: | 2023-11-03 | | Release date: | 2013-03-20 | | Identifier: | S-methyl-D-cysteine |
|
 | | UIA | | Name: | [(2~{R})-1-azanylpropan-2-yl]carbamic acid | | Formula: | C4 H10 N2 O2 | | SMILES: | C[CH](CN)NC(O)=O | | InChi: | InChI=1S/C4H10N2O2/c1-3(2-5)6-4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m1/s1 | | Definition date: | 2019-10-12 | | Last modified: | 2023-11-03 | | Release date: | 2021-02-17 | | Identifier: | [(2~{R})-1-azanylpropan-2-yl]carbamic acid |
|
 | | WPA | | Name: | (betaR)-beta-methoxy-L-phenylalanine | | Formula: | C10 H13 N O3 | | SMILES: | O=C(O)C(N)C(OC)c1ccccc1 | | InChi: | InChI=1S/C10H13NO3/c1-14-9(8(11)10(12)13)7-5-3-2-4-6-7/h2-6,8-9H,11H2,1H3,(H,12,13)/t8-,9+/m0/s1 | | Definition date: | 2013-06-18 | | Last modified: | 2023-11-03 | | Release date: | 2013-09-18 | | Identifier: | (betaR)-beta-methoxy-L-phenylalanine |
|
 | | TOX | | Name: | 1-hydroperoxy-L-tryptophan | | Formula: | C11 H12 N2 O4 | | SMILES: | O=C(O)C(N)Cc2c1ccccc1n(OO)c2 | | InChi: | InChI=1S/C11H12N2O4/c12-9(11(14)15)5-7-6-13(17-16)10-4-2-1-3-8(7)10/h1-4,6,9,16H,5,12H2,(H,14,15)/t9-/m0/s1 | | Definition date: | 2006-08-21 | | Last modified: | 2023-11-03 | | Identifier: | 1-hydroperoxy-L-tryptophan |
|
 | | VR9 | | Name: | N-[2-(5-chloro-2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide | | Formula: | C21 H20 Cl N3 O3 | | SMILES: | CCC(=O)N(C)CCOc1cc(Cl)ccc1Oc1cccn2cc(cc12)C#N | | InChi: | InChI=1S/C21H20ClN3O3/c1-3-21(26)24(2)9-10-27-20-12-16(22)6-7-19(20)28-18-5-4-8-25-14-15(13-23)11-17(18)25/h4-8,11-12,14H,3,9-10H2,1-2H3 | | Definition date: | 2023-09-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-[2-(5-chloro-2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide |
|
