| STH | Name: | 2-AMINO-4H-1,3-BENZOXATHIIN-4-OL | Formula: | C8 H9 N O2 S | SMILES: | O2c1ccccc1C(O)SC2N | InChi: | InChI=1S/C8H9NO2S/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4,7-8,10H,9H2/t7-,8+/m1/s1 | Definition date: | 2004-11-03 | Last modified: | 2024-09-27 | Identifier: | (2S,4R)-2-amino-4H-1,3-benzoxathiin-4-ol |
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| VA1 | Name: | {5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-2-YL}BORONIC ACID | Formula: | C11 H10 B N O4 S | SMILES: | O=CN(C=O)Cc2cc1c(sc(c1)B(O)O)cc2 | InChi: | InChI=1S/C11H10BNO4S/c14-6-13(7-15)5-8-1-2-10-9(3-8)4-11(18-10)12(16)17/h1-4,6-7,16-17H,5H2 | Synonyms: | 5-DIFORMYLAMINOMETHYL-BENZO[B]THIOPHEN-2-BORONIC ACID | Definition date: | 2006-09-01 | Last modified: | 2024-09-27 | Identifier: | {5-[(diformylamino)methyl]-1-benzothiophen-2-yl}boronic acid |
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| QVA | Name: | (2S,3R)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxybutanedioic acid | Formula: | C7 H11 N O7 S | SMILES: | NC(CSC(C(O)=O)C(O)C(O)=O)C(O)=O | InChi: | InChI=1S/C7H11NO7S/c8-2(5(10)11)1-16-4(7(14)15)3(9)6(12)13/h2-4,9H,1,8H2,(H,10,11)(H,12,13)(H,14,15)/t2-,3-,4-/m0/s1 | Definition date: | 2019-12-20 | Last modified: | 2024-09-27 | Release date: | 2020-12-30 | Identifier: | (2S,3R)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxybutanedioic acid |
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| N77 | Name: | 7-(hydroxyamino)-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide 3-oxide | Formula: | C15 H11 F3 N4 O3 S | SMILES: | FC(F)(F)c3cc1c(sc([n+]1[O-])C(=O)NCc2cccnc2)c(c3)NO | InChi: | InChI=1S/C15H11F3N4O3S/c16-15(17,18)9-4-10(21-24)12-11(5-9)22(25)14(26-12)13(23)20-7-8-2-1-3-19-6-8/h1-6,21,24H,7H2,(H,20,23) | Definition date: | 2014-06-03 | Last modified: | 2024-09-27 | Release date: | 2015-10-21 | Identifier: | 7-(hydroxyamino)-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide 3-oxide |
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| OV7 | Name: | (2R)-amino[(carboxymethyl)sulfanyl]acetic acid | Formula: | C4 H7 N O4 S | SMILES: | NC(C(O)=O)SCC(O)=O | InChi: | InChI=1S/C4H7NO4S/c5-3(4(8)9)10-1-2(6)7/h3H,1,5H2,(H,6,7)(H,8,9)/t3-/m1/s1 | Definition date: | 2019-07-08 | Last modified: | 2024-09-27 | Release date: | 2019-08-07 | Identifier: | (2R)-amino[(carboxymethyl)sulfanyl]acetic acid |
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| J5N | Name: | ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide | Formula: | C29 H36 F N5 O4 S | SMILES: | CC(C)C[CH](NC(=O)c1ccc(cc1)c2nc(sc2F)N3CCN(C)CC3)C(=O)N4C[CH](C#C)[CH]5OC[CH](O)[CH]45 | InChi: | InChI=1S/C29H36FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21-22,24-25,36H,10-16H2,2-4H3,(H,31,37)/t18-,21+,22+,24-,25-/m1/s1 | Definition date: | 2019-02-01 | Last modified: | 2024-09-27 | Release date: | 2020-02-19 | Identifier: | ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide |
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| UJR | Name: | (2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal | Formula: | C7 H8 I N3 O S | SMILES: | N[CH](CSc1ncc(I)cn1)C=O | InChi: | InChI=1S/C7H8IN3OS/c8-5-1-10-7(11-2-5)13-4-6(9)3-12/h1-3,6H,4,9H2/t6-/m1/s1 | Synonyms: | arylated cysteine | Definition date: | 2023-02-06 | Last modified: | 2024-09-27 | Release date: | 2023-12-13 | Identifier: | (2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal |
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| J5T | Name: | ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{S})-6-chloranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide | Formula: | C27 H35 Cl F N5 O4 S | SMILES: | CC(C)C[CH](NC(=O)c1ccc(cc1)c2nc(sc2F)N3CCN(C)CC3)C(=O)N4C[CH](Cl)[CH]5OC[CH](O)[CH]45 | InChi: | InChI=1S/C27H35ClFN5O4S/c1-15(2)12-19(26(37)34-13-18(28)23-22(34)20(35)14-38-23)30-25(36)17-6-4-16(5-7-17)21-24(29)39-27(31-21)33-10-8-32(3)9-11-33/h4-7,15,18-20,22-23,35H,8-14H2,1-3H3,(H,30,36)/t18-,19+,20+,22-,23-/m1/s1 | Definition date: | 2019-02-01 | Last modified: | 2024-09-27 | Release date: | 2020-02-19 | Identifier: | ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{S})-6-chloranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide |
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| P1L | Name: | S-PALMITOYL-L-CYSTEINE | Formula: | C19 H37 N O3 S | SMILES: | O=C(O)C(N)CSC(=O)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C19H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h17H,2-16,20H2,1H3,(H,22,23)/t17-/m0/s1 | Definition date: | 2005-09-03 | Last modified: | 2024-09-27 | Identifier: | S-hexadecanoyl-L-cysteine |
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| ZBZ | Name: | S-(phenylcarbonyl)-L-cysteine | Formula: | C10 H11 N O3 S | SMILES: | O=C(O)C(N)CSC(=O)c1ccccc1 | InChi: | InChI=1S/C10H11NO3S/c11-8(9(12)13)6-15-10(14)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-/m0/s1 | Definition date: | 2010-02-09 | Last modified: | 2024-09-27 | Identifier: | S-benzoyl-L-cysteine |
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| XCN | Name: | S-cyano-L-cysteine | Formula: | C4 H6 N2 O2 S | SMILES: | O=C(O)C(N)CSC#N | InChi: | InChI=1S/C4H6N2O2S/c5-2-9-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 | Definition date: | 2010-09-21 | Last modified: | 2024-09-27 | Identifier: | S-cyano-L-cysteine |
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| WG0 | Name: | [(6S,10P)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid | Formula: | C19 H17 Cl N4 O2 S | SMILES: | O=C(O)CC1N=C(c2ccc(Cl)cc2)c2c(C)c(C)sc2n2c(C)nnc21 | InChi: | InChI=1S/C19H17ClN4O2S/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)21-14(8-15(25)26)18-23-22-11(3)24(18)19/h4-7,14H,8H2,1-3H3,(H,25,26)/t14-/m0/s1 | Definition date: | 2022-09-07 | Last modified: | 2024-09-27 | Release date: | 2023-10-04 | Identifier: | [(6S,10P)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid |
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| C3Y | Name: | S-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-L-CYSTEINE | Formula: | C5 H12 N2 O4 S | SMILES: | O=C(O)C(N)CSC(O)(NO)C | InChi: | InChI=1S/C5H12N2O4S/c1-5(10,7-11)12-2-3(6)4(8)9/h3,7,10-11H,2,6H2,1H3,(H,8,9)/t3-,5-/m0/s1 | Definition date: | 2007-04-02 | Last modified: | 2024-09-27 | Identifier: | S-[(1S)-1-hydroxy-1-(hydroxyamino)ethyl]-L-cysteine |
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| XVG | Name: | 1-[(2S)-2-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid | Formula: | C27 H27 Cl N8 O12 S | SMILES: | CC(C(O)=O)(C)ON=C(c1nc(N)sc1Cl)C(NC(C=O)CN2NC(=C(C2)C(NCCN4C(=O)c3cc(O)c(cc3C4=O)O)=O)C(O)=O)=O | InChi: | InChI=1S/C27H27ClN8O12S/c1-27(2,25(46)47)48-34-18(17-19(28)49-26(29)32-17)21(41)31-10(9-37)7-35-8-13(16(33-35)24(44)45)20(40)30-3-4-36-22(42)11-5-14(38)15(39)6-12(11)23(36)43/h5-6,9-10,33,38-39H,3-4,7-8H2,1-2H3,(H2,29,32)(H,30,40)(H,31,41)(H,44,45)(H,46,47)/b34-18-/t10-/m0/s1 | Definition date: | 2021-01-15 | Last modified: | 2024-09-27 | Release date: | 2021-04-28 | Identifier: | 1-[(2S)-2-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid |
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| SCS | Name: | 3-(ethyldisulfanyl)-L-alanine | Formula: | C5 H11 N O2 S2 | SMILES: | O=C(O)C(N)CSSCC | InChi: | InChI=1S/C5H11NO2S2/c1-2-9-10-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 3-(ethyldisulfanyl)-L-alanine |
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| SCY | Name: | S-ACETYL-CYSTEINE | Formula: | C5 H9 N O3 S | SMILES: | O=C(O)C(N)CSC(=O)C | InChi: | InChI=1S/C5H9NO3S/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | S-acetyl-L-cysteine |
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| QEW | Name: | 1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea | Formula: | C20 H16 N4 O3 S | SMILES: | COc1cc2ccncc2cc1c3ccc4nc(NC(=O)NCC=O)sc4c3 | InChi: | InChI=1S/C20H16N4O3S/c1-27-17-9-12-4-5-21-11-14(12)8-15(17)13-2-3-16-18(10-13)28-20(23-16)24-19(26)22-6-7-25/h2-5,7-11H,6H2,1H3,(H2,22,23,24,26) | Definition date: | 2022-10-26 | Last modified: | 2024-09-27 | Release date: | 2023-03-01 | Identifier: | 1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea |
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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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| JFF | Name: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid | Formula: | C19 H26 Cl N5 O6 S | SMILES: | NCC(CN)=C(SCC(NC(O)=O)C(O)=O)c1ccc(cc1)C(=O)NCCNC(=O)CCl | InChi: | InChI=1S/C19H26ClN5O6S/c20-7-15(26)23-5-6-24-17(27)12-3-1-11(2-4-12)16(13(8-21)9-22)32-10-14(18(28)29)25-19(30)31/h1-4,14,25H,5-10,21-22H2,(H,23,26)(H,24,27)(H,28,29)(H,30,31) | Definition date: | 2022-08-10 | Last modified: | 2024-09-27 | Release date: | 2023-11-15 | Identifier: | (2~{R})-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid |
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| NYB | Name: | N-METHYL-S-[(1R)-1-METHYLPROPYL]-L-CYSTEINE | Formula: | C8 H17 N O2 S | SMILES: | O=C(O)C(NC)CSC(CC)C | InChi: | InChI=1S/C8H17NO2S/c1-4-6(2)12-5-7(9-3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t6-,7+/m1/s1 | Definition date: | 2010-07-14 | Last modified: | 2024-09-27 | Identifier: | N-methyl-S-[(1R)-1-methylpropyl]-L-cysteine |
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| NYS | Name: | S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine | Formula: | C11 H16 N2 O5 S | SMILES: | O=C(O)C(N)CSc1cc(cc(O)c1O)C(O)CN | InChi: | InChI=1S/C11H16N2O5S/c12-3-8(15)5-1-7(14)10(16)9(2-5)19-4-6(13)11(17)18/h1-2,6,8,14-16H,3-4,12-13H2,(H,17,18)/t6-,8-/m0/s1 | Definition date: | 2007-10-08 | Last modified: | 2024-09-27 | Identifier: | S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine |
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| LWZ | Name: | 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide | Formula: | C6 H10 N4 O S2 | SMILES: | SC(S)CC(=O)NCc1c[nH]nn1 | InChi: | InChI=1S/C6H10N4OS2/c11-5(1-6(12)13)7-2-4-3-8-10-9-4/h3,6,12-13H,1-2H2,(H,7,11)(H,8,9,10) | Definition date: | 2019-09-25 | Last modified: | 2024-09-27 | Release date: | 2020-08-05 | Identifier: | 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide |
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| MCS | Name: | MALONYL CYSTEINE | Formula: | C6 H9 N O5 S | SMILES: | O=C(O)C(N)CSC(=O)CC(=O)O | InChi: | InChI=1S/C6H9NO5S/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1 | Definition date: | 2007-02-02 | Last modified: | 2024-09-27 | Identifier: | S-(carboxyacetyl)-L-cysteine |
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| MSA | Name: | (2-S-METHYL) SARCOSINE | Formula: | C4 H9 N O2 S | SMILES: | O=C(O)C(SC)NC | InChi: | InChI=1S/C4H9NO2S/c1-5-3(8-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (2R)-(methylamino)(methylsulfanyl)ethanoic acid |
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| MEE | Name: | METHANETHIOL | Formula: | C H4 S | SMILES: | SC | InChi: | InChI=1S/CH4S/c1-2/h2H,1H3 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | methanethiol |
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