 | | TLY | | Name: | (2S)-2-azanyl-6-(ethanethioylamino)hexanoic acid | | Formula: | C8 H16 N2 O2 S | | SMILES: | O=C(O)C(N)CCCCNC(=S)C | | InChi: | InChI=1S/C8H16N2O2S/c1-6(13)10-5-3-2-4-7(9)8(11)12/h7H,2-5,9H2,1H3,(H,10,13)(H,11,12)/t7-/m0/s1 | | Synonyms: | 6-N-thiolacetyl-L-lysine | | Definition date: | 2010-03-04 | | Last modified: | 2024-09-27 | | Identifier: | N~6~-ethanethioyl-L-lysine |
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 | | W2C | | Name: | (2S,4S)-N-[(2S)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-piperidine-2-carboxamide | | Formula: | C22 H24 N4 O2 | | SMILES: | O=C(NC(C=[N@H])Cc2ccc(c1ccc(C#N)cc1)cc2)C3NCCC(O)C3 | | InChi: | InChI=1S/C22H24N4O2/c23-13-16-3-7-18(8-4-16)17-5-1-15(2-6-17)11-19(14-24)26-22(28)21-12-20(27)9-10-25-21/h1-8,14,19-21,24-25,27H,9-12H2,(H,26,28)/b24-14+/t19-,20-,21-/m0/s1 | | Definition date: | 2013-10-31 | | Last modified: | 2024-09-27 | | Release date: | 2014-03-19 | | Identifier: | (2S,4S)-N-[(2S,3E)-1-(4'-cyanobiphenyl-4-yl)-3-iminopropan-2-yl]-4-hydroxypiperidine-2-carboxamide |
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 | | T79 | | Name: | (2S)-2-azanylhex-4-ynoic acid | | Formula: | C6 H9 N O2 | | SMILES: | CC#CC[CH](N)C(O)=O | | InChi: | InChI=1S/C6H9NO2/c1-2-3-4-5(7)6(8)9/h5H,4,7H2,1H3,(H,8,9)/t5-/m0/s1 | | Synonyms: | (S)-2-Aminohex-4-ynoic acid | | Definition date: | 2022-12-21 | | Last modified: | 2024-09-27 | | Release date: | 2023-03-15 | | Identifier: | (2~{S})-2-azanylhex-4-ynoic acid |
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 | | K8P | | Name: | [(2~{R},3~{R})-2,3-bis(oxidanyl)-3-[[(2~{S})-3-oxidanylidenepent-4-en-2-yl]amino]propyl] dihydrogen phosphate | | Formula: | C8 H16 N O7 P | | SMILES: | C[CH](N[CH](O)[CH](O)CO[P](O)(O)=O)C(=O)C=C | | InChi: | InChI=1S/C8H16NO7P/c1-3-6(10)5(2)9-8(12)7(11)4-16-17(13,14)15/h3,5,7-9,11-12H,1,4H2,2H3,(H2,13,14,15)/t5-,7+,8+/m0/s1 | | Definition date: | 2016-08-11 | | Last modified: | 2024-09-27 | | Release date: | 2017-01-18 | | Identifier: | [(2~{R},3~{R})-2,3-bis(oxidanyl)-3-[[(2~{S})-3-oxidanylidenepent-4-en-2-yl]amino]propyl] dihydrogen phosphate |
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 | | U0R | | Name: | 5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde | | Formula: | C13 H8 Br2 Cl N O2 | | SMILES: | O=Cc1ncc(Br)cc1OCc1cc(Br)ccc1Cl | | InChi: | InChI=1S/C13H8Br2ClNO2/c14-9-1-2-11(16)8(3-9)7-19-13-4-10(15)5-17-12(13)6-18/h1-6H,7H2 | | Definition date: | 2022-08-01 | | Last modified: | 2024-09-27 | | Release date: | 2023-07-05 | | Identifier: | 5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde |
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 | | T7A | | Name: | N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide | | Formula: | C10 H10 N2 O2 S | | SMILES: | n2c1c(cccc1OC)sc2NC(C)=O | | InChi: | InChI=1S/C10H10N2O2S/c1-6(13)11-10-12-9-7(14-2)4-3-5-8(9)15-10/h3-5H,1-2H3,(H,11,12,13) | | Definition date: | 2020-03-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-25 | | Identifier: | N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide |
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 | | 0G6 | | Name: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide | | Formula: | C21 H34 Cl N6 O3 | | SMILES: | O=C(NC(CCCNC(=[NH2+])N)C(O)CCl)C2N(C(=O)C(N)Cc1ccccc1)CCC2 | | InChi: | InChI=1S/C21H33ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-18,29H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/p+1/t15-,16+,17+,18-/m1/s1 | | Synonyms: | PPACK | | Definition date: | 2008-09-14 | | Last modified: | 2024-09-27 | | Identifier: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide |
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 | | J0B | | Name: | 1-[(3~{R})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one | | Formula: | C13 H17 I N6 O | | SMILES: | CCC(=O)N1CCC[CH](C1)n2nc(I)c3c(N)ncnc23 | | InChi: | InChI=1S/C13H17IN6O/c1-2-9(21)19-5-3-4-8(6-19)20-13-10(11(14)18-20)12(15)16-7-17-13/h7-8H,2-6H2,1H3,(H2,15,16,17)/t8-/m1/s1 | | Definition date: | 2019-01-10 | | Last modified: | 2024-09-27 | | Release date: | 2019-05-22 | | Identifier: | 1-[(3~{R})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one |
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 | | T7C | | Name: | 3-({2-[(2-amino-2-oxoethyl)amino]ethyl}sulfanyl)propanoic acid | | Formula: | C7 H14 N2 O3 S | | SMILES: | O=C(N)CNCCSCCC(=O)O | | InChi: | InChI=1S/C7H14N2O3S/c8-6(10)5-9-2-4-13-3-1-7(11)12/h9H,1-5H2,(H2,8,10)(H,11,12) | | Definition date: | 2022-07-19 | | Last modified: | 2024-09-27 | | Release date: | 2023-05-24 | | Identifier: | 3-({2-[(2-amino-2-oxoethyl)amino]ethyl}sulfanyl)propanoic acid |
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 | | SE | | Name: | SELENIUM ATOM | | Formula: | Se | | SMILES: | [Se] | | InChi: | InChI=1S/H2Se/h1H2 | | Definition date: | 2000-08-08 | | Last modified: | 2024-09-27 | | Identifier: | hydrogen selenide |
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 | | T7D | | Name: | N-(1-acetylpiperidin-4-yl)benzamide | | Formula: | C14 H18 N2 O2 | | SMILES: | N(C1CCN(CC1)C(C)=O)C(c2ccccc2)=O | | InChi: | InChI=1S/C14H18N2O2/c1-11(17)16-9-7-13(8-10-16)15-14(18)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,15,18) | | Definition date: | 2020-03-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-25 | | Identifier: | N-(1-acetylpiperidin-4-yl)benzamide |
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 | | J0E | | Name: | 1-[(3~{R})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one | | Formula: | C19 H22 N6 O2 | | SMILES: | CCC(=O)N1CCC[CH](C1)n2nc(c3ccc(O)cc3)c4c(N)ncnc24 | | InChi: | InChI=1S/C19H22N6O2/c1-2-15(27)24-9-3-4-13(10-24)25-19-16(18(20)21-11-22-19)17(23-25)12-5-7-14(26)8-6-12/h5-8,11,13,26H,2-4,9-10H2,1H3,(H2,20,21,22)/t13-/m1/s1 | | Definition date: | 2019-01-10 | | Last modified: | 2024-09-27 | | Release date: | 2019-05-22 | | Identifier: | 1-[(3~{R})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one |
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 | | T7G | | Name: | 1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide | | Formula: | C14 H18 N2 O3 | | SMILES: | N2(CCC(C(Nc1ccccc1O)=O)CC2)C(C)=O | | InChi: | InChI=1S/C14H18N2O3/c1-10(17)16-8-6-11(7-9-16)14(19)15-12-4-2-3-5-13(12)18/h2-5,11,18H,6-9H2,1H3,(H,15,19) | | Definition date: | 2020-03-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-25 | | Identifier: | 1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide |
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 | | 0GE | | Name: | N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-alpha-glutamyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide | | Formula: | C26 H38 Cl N7 O7 S | | SMILES: | ClCC(O)C(NC(=O)CNC(=O)C(NS(=O)(=O)c2cccc1c(cccc12)N(C)C)CCC(=O)O)CCCNC(=[N@H])N | | InChi: | InChI=1S/C26H38ClN7O7S/c1-34(2)20-9-3-7-17-16(20)6-4-10-22(17)42(40,41)33-19(11-12-24(37)38)25(39)31-15-23(36)32-18(21(35)14-27)8-5-13-30-26(28)29/h3-4,6-7,9-10,18-19,21,33,35H,5,8,11-15H2,1-2H3,(H,31,39)(H,32,36)(H,37,38)(H4,28,29,30)/t18-,19-,21+/m0/s1 | | Synonyms: | 1,5-DANSYL-GLU-GLY-ARG-CHLOROMETHYL KETONE, bound form | | Definition date: | 2008-09-14 | | Last modified: | 2024-09-27 | | Identifier: | N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-alpha-glutamyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide |
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 | | T7H | | Name: | 3-({2-[(carboxymethyl)amino]ethyl}sulfanyl)propanoic acid | | Formula: | C7 H13 N O4 S | | SMILES: | OC(=O)CNCCSCCC(=O)O | | InChi: | InChI=1S/C7H13NO4S/c9-6(10)1-3-13-4-2-8-5-7(11)12/h8H,1-5H2,(H,9,10)(H,11,12) | | Definition date: | 2022-07-19 | | Last modified: | 2024-09-27 | | Release date: | 2023-05-24 | | Identifier: | 3-({2-[(carboxymethyl)amino]ethyl}sulfanyl)propanoic acid |
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 | | TM8 | | Name: | Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-L-phenylalaninamide | | Formula: | C33 H34 N2 O5 S | | SMILES: | N(C(OCc1ccccc1)=O)C(Cc2ccccc2)C(=O)NC(CCS(c3ccccc3)(=O)=O)Cc4ccccc4 | | InChi: | InChI=1S/C33H34N2O5S/c36-32(31(24-27-15-7-2-8-16-27)35-33(37)40-25-28-17-9-3-10-18-28)34-29(23-26-13-5-1-6-14-26)21-22-41(38,39)30-19-11-4-12-20-30/h1-20,29,31H,21-25H2,(H,34,36)(H,35,37)/t29-,31+/m1/s1 | | Definition date: | 2019-11-07 | | Last modified: | 2024-09-27 | | Release date: | 2020-11-25 | | Identifier: | Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-L-phenylalaninamide |
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 | | U0Y | | Name: | 1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one | | Formula: | C14 H18 N2 O2 | | SMILES: | N2(CCN(C(c1ccc(cc1)C)=O)CC2)C(C)=O | | InChi: | InChI=1S/C14H18N2O2/c1-11-3-5-13(6-4-11)14(18)16-9-7-15(8-10-16)12(2)17/h3-6H,7-10H2,1-2H3 | | Definition date: | 2020-04-08 | | Last modified: | 2024-09-27 | | Release date: | 2020-04-15 | | Identifier: | 1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one |
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 | | T7J | | Name: | N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide | | Formula: | C13 H15 N O3 S | | SMILES: | C=1S(CC(C=1)N(c2ccc(C)cc2)C(=O)C)(=O)=O | | InChi: | InChI=1S/C13H15NO3S/c1-10-3-5-12(6-4-10)14(11(2)15)13-7-8-18(16,17)9-13/h3-8,13H,9H2,1-2H3/t13-/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-methylphenyl)acetamide |
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 | | W2P | | Name: | N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide | | Formula: | C27 H28 Cl F3 N6 O2 | | SMILES: | FC(F)(F)c4cc(Oc1ccc(cc1Cl)Nc2ncnc3c2n(cc3)CCNC(=O)CCCN(C)C)ccc4 | | InChi: | InChI=1S/C27H28ClF3N6O2/c1-36(2)12-4-7-24(38)32-11-14-37-13-10-22-25(37)26(34-17-33-22)35-19-8-9-23(21(28)16-19)39-20-6-3-5-18(15-20)27(29,30)31/h3,5-6,8-10,13,15-17H,4,7,11-12,14H2,1-2H3,(H,32,38)(H,33,34,35) | | Definition date: | 2012-12-06 | | Last modified: | 2024-09-27 | | Release date: | 2013-01-11 | | Identifier: | N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide |
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 | | 0GJ | | Name: | L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide | | Formula: | C14 H28 Cl N6 O5 | | SMILES: | O=C(NC(CCCNC(=[NH2+])N)C(O)CCl)CNC(=O)C(N)CCC(=O)O | | InChi: | InChI=1S/C14H27ClN6O5/c15-6-10(22)9(2-1-5-19-14(17)18)21-11(23)7-20-13(26)8(16)3-4-12(24)25/h8-10,22H,1-7,16H2,(H,20,26)(H,21,23)(H,24,25)(H4,17,18,19)/p+1/t8-,9-,10+/m0/s1 | | Definition date: | 2008-10-08 | | Last modified: | 2024-09-27 | | Identifier: | L-alpha-glutamyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]glycinamide |
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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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 | | TMD | | Name: | (6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-DIMETHYL-THREONINE | | Formula: | C10 H21 N O3 | | SMILES: | O=C(O)C(NC)C(O)C(CCCC)C | | InChi: | InChI=1S/C10H21NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h7-9,11-12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 4-butyl-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid |
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 | | TME | | Name: | PROPANE | | Formula: | C3 H8 | | SMILES: | CCC | | InChi: | InChI=1S/C3H8/c1-3-2/h3H2,1-2H3 | | Definition date: | 2001-01-24 | | Last modified: | 2024-09-27 | | Identifier: | propane |
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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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 | | SEB | | Name: | O-BENZYLSULFONYL-SERINE | | Formula: | C10 H13 N O5 S | | SMILES: | O=C(O)C(N)COS(=O)(=O)Cc1ccccc1 | | InChi: | InChI=1S/C10H13NO5S/c11-9(10(12)13)6-16-17(14,15)7-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1 | | Definition date: | 1999-08-12 | | Last modified: | 2024-09-27 | | Identifier: | O-(benzylsulfonyl)-L-serine |
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