 | YPZ | Name: | 3-[(3Z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-L-alanine | Formula: | C15 H15 N3 O4 | SMILES: | O=C2C=C(O)C(=N/Nc1ccccc1)C=C2CC(C(=O)O)N | InChi: | InChI=1S/C15H15N3O4/c16-11(15(21)22)6-9-7-12(14(20)8-13(9)19)18-17-10-4-2-1-3-5-10/h1-5,7-8,11,17,20H,6,16H2,(H,21,22)/b18-12-/t11-/m0/s1 | Definition date: | 2013-04-12 | Last modified: | 2024-09-27 | Release date: | 2013-04-24 | Identifier: | 3-[(3Z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-L-alanine |
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 | S9U | Name: | [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | Formula: | C25 H44 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]1CC2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O | InChi: | InChI=1S/C25H43N3O8S/c1-15(2)10-20(28-25(32)36-14-19-12-18(19)11-16-6-4-3-5-7-16)23(30)27-21(24(31)37(33,34)35)13-17-8-9-26-22(17)29/h15-21,24,31H,3-14H2,1-2H3,(H4-,26,27,28,29,30,32,33,34,35)/p+1/t17-,18+,19-,20-,21-,24-/m0/s1 | Definition date: | 2022-06-29 | Last modified: | 2024-09-27 | Release date: | 2022-07-06 | Identifier: | [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate |
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 | WRH | Name: | methyl (2S)-1-[(2S,3S)-3-methyl-2-[[(3S)-3-oxidanyl-4-oxidanylidene-4-(propylamino)butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylate | Formula: | C19 H33 N3 O6 | SMILES: | CCCNC(=O)[CH](O)CC(=O)N[CH]([CH](C)CC)C(=O)N1CCC[CH]1C(=O)OC | InChi: | InChI=1S/C19H33N3O6/c1-5-9-20-17(25)14(23)11-15(24)21-16(12(3)6-2)18(26)22-10-7-8-13(22)19(27)28-4/h12-14,16,23H,5-11H2,1-4H3,(H,20,25)(H,21,24)/t12-,13-,14-,16-/m0/s1 | Synonyms: | CA-074 methyl ester (bound) | Definition date: | 2023-05-17 | Last modified: | 2024-09-27 | Release date: | 2023-07-05 | Identifier: | methyl (2~{S})-1-[(2~{S},3~{S})-3-methyl-2-[[(3~{S})-3-oxidanyl-4-oxidanylidene-4-(propylamino)butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylate |
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 | 4IO | Name: | 5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate | Formula: | C20 H12 Cl N3 O6 S | SMILES: | [O-][N+](=O)c1cc(ccc1)S(=O)(=O)n1ccc2cc(ccc21)C(=O)Oc1cc(Cl)cnc1 | InChi: | InChI=1S/C20H12ClN3O6S/c21-15-9-17(12-22-11-15)30-20(25)14-4-5-19-13(8-14)6-7-23(19)31(28,29)18-3-1-2-16(10-18)24(26)27/h1-12H | Definition date: | 2021-07-08 | Last modified: | 2024-09-27 | Release date: | 2021-09-29 | Identifier: | 5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate |
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 | YCT | Name: | 2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl L-leucinate | Formula: | C17 H34 N3 O9 P | SMILES: | O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCOC(=O)C(N)CC(C)C | InChi: | InChI=1S/C17H34N3O9P/c1-11(2)9-12(18)16(24)28-8-7-19-13(21)5-6-20-15(23)14(22)17(3,4)10-29-30(25,26)27/h11-12,14,22H,5-10,18H2,1-4H3,(H,19,21)(H,20,23)(H2,25,26,27)/t12-,14-/m0/s1 | Definition date: | 2023-01-24 | Last modified: | 2024-09-27 | Release date: | 2023-06-21 | Identifier: | 2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl L-leucinate |
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 | UOT | Name: | 4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde | Formula: | C15 H11 Cl N2 O2 | SMILES: | COc1ccc2nc(Cl)n(c3ccc(C=O)cc3)c2c1 | InChi: | InChI=1S/C15H11ClN2O2/c1-20-12-6-7-13-14(8-12)18(15(16)17-13)11-4-2-10(9-19)3-5-11/h2-9H,1H3 | Definition date: | 2021-03-03 | Last modified: | 2024-09-27 | Release date: | 2021-06-09 | Identifier: | 4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde |
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 | ZSN | Name: | 1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid | Formula: | C3 H7 N3 O3 | SMILES: | O=C(N)CN(N)C(=O)O | InChi: | InChI=1S/C3H7N3O3/c4-2(7)1-6(5)3(8)9/h1,5H2,(H2,4,7)(H,8,9) | Synonyms: | Aza-asparagine | Definition date: | 2012-06-01 | Last modified: | 2024-09-27 | Release date: | 2013-06-26 | Identifier: | 1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid |
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 | ZA2 | Name: | [(2-CHLOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON | Formula: | C8 H10 B Cl N O4 | SMILES: | O[B-](O)(O)CNC(=O)c1ccccc1Cl | InChi: | InChI=1S/C8H10BClNO4/c10-7-4-2-1-3-6(7)8(12)11-5-9(13,14)15/h1-4,13-15H,5H2,(H,11,12)/q-1 | Synonyms: | 2-CHLOROBENZAMIDOMETHYLBORONIC ACID | Definition date: | 2010-12-15 | Last modified: | 2024-09-27 | Identifier: | [(2-chlorophenyl)carbonylamino]methyl-trihydroxy-boron |
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 | YCV | Name: | 2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide | Formula: | C19 H19 N3 O4 | SMILES: | COc1cc(cc(C=O)c1OCC(=O)N(C)C)c2cccc3[nH]ncc23 | InChi: | InChI=1S/C19H19N3O4/c1-22(2)18(24)11-26-19-13(10-23)7-12(8-17(19)25-3)14-5-4-6-16-15(14)9-20-21-16/h4-10H,11H2,1-3H3,(H,20,21) | Definition date: | 2021-02-22 | Last modified: | 2024-09-27 | Release date: | 2021-11-10 | Identifier: | 2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide |
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 | KK9 | Name: | N-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide | Formula: | C16 H16 Cl N O2 | SMILES: | CCC(=O)Nc1ccc(C)c(Oc2ccc(Cl)cc2)c1 | InChi: | InChI=1S/C16H16ClNO2/c1-3-16(19)18-13-7-4-11(2)15(10-13)20-14-8-5-12(17)6-9-14/h4-10H,3H2,1-2H3,(H,18,19) | Definition date: | 2020-07-30 | Last modified: | 2024-09-27 | Release date: | 2021-02-03 | Identifier: | ~{N}-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide |
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 | S9W | Name: | ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide | Formula: | C25 H30 Br N3 O3 | SMILES: | Brc1ccc(CN2CCN(CC2)Cc3cccc(NC(=O)C4(CCOCC4)C=O)c3)cc1 | InChi: | InChI=1S/C25H30BrN3O3/c26-22-6-4-20(5-7-22)17-28-10-12-29(13-11-28)18-21-2-1-3-23(16-21)27-24(31)25(19-30)8-14-32-15-9-25/h1-7,16,19H,8-15,17-18H2,(H,27,31) | Definition date: | 2020-11-13 | Last modified: | 2024-09-27 | Release date: | 2021-06-30 | Identifier: | ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide |
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 | A1H5U | Name: | (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one | Formula: | C32 H33 Cl F2 N6 O4 | SMILES: | CCC(=O)N1C[CH](C)N(C[CH]1C)C2=NC(=O)[N]3c4nc(c(Cl)cc24)c5c(F)ccc(F)c5OCCOc6ccnc(C(C)C)c36 | InChi: | InChI=1S/C32H33ClF2N6O4/c1-6-24(42)39-14-18(5)40(15-17(39)4)30-19-13-20(33)27-25-21(34)7-8-22(35)29(25)45-12-11-44-23-9-10-36-26(16(2)3)28(23)41(31(19)37-27)32(43)38-30/h7-10,13,16-18H,6,11-12,14-15H2,1-5H3/t17-,18+/m1/s1 | Synonyms: | HYDROXYETHYLAMINE BACE INHIBITOR | Definition date: | 2024-03-07 | Last modified: | 2024-09-27 | Release date: | 2024-07-10 |
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 | VI3 | Name: | (2~{R})-2-azanyl-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]propanoic acid | Formula: | C3 H6 N O4 S | SMILES: | N[CH](C[S-](=O)=O)C(O)=O | InChi: | InChI=1S/C3H6NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)/q-1/t2-/m0/s1 | Definition date: | 2023-03-07 | Last modified: | 2024-09-27 | Release date: | 2023-03-15 | Identifier: | (2~{R})-2-azanyl-3-sulfinato-propanoic acid |
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 | ML3 | Name: | 2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-N,N,N-trimethylethanaminium | Formula: | C8 H19 N2 O2 S | SMILES: | O=C(O)C(N)CSCC[N+](C)(C)C | InChi: | InChI=1S/C8H18N2O2S/c1-10(2,3)4-5-13-6-7(9)8(11)12/h7H,4-6,9H2,1-3H3/p+1/t7-/m0/s1 | Definition date: | 2008-02-19 | Last modified: | 2024-09-27 | Identifier: | 2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-N,N,N-trimethylethanaminium |
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 | NSF | Name: | N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine | Formula: | C12 H15 I N4 O6 | SMILES: | OC(=O)CN(C1COCC1N)C(=O)CN1C=C(I)C(=O)NC1=O | InChi: | InChI=1S/C12H15IN4O6/c13-6-1-16(12(22)15-11(6)21)2-9(18)17(3-10(19)20)8-5-23-4-7(8)14/h1,7-8H,2-5,14H2,(H,19,20)(H,15,21,22)/t7-,8-/m0/s1 | Definition date: | 2022-04-07 | Last modified: | 2024-09-27 | Release date: | 2023-04-05 | Identifier: | N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine |
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 | S9X | Name: | 2-azanyl-2-butyl-hexanal | Formula: | C10 H21 N O2 | SMILES: | CCCCC(N)(CCCC)C(O)=O | InChi: | InChI=1S/C10H21NO2/c1-3-5-7-10(11,9(12)13)8-6-4-2/h3-8,11H2,1-2H3,(H,12,13) | Definition date: | 2022-12-15 | Last modified: | 2024-09-27 | Release date: | 2023-10-11 | Identifier: | 2-azanyl-2-butyl-hexanoic acid |
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 | ZA3 | Name: | TRIHYDROXY-[[(2-NITROPHENYL)CARBONYLAMINO]METHYL]BORON | Formula: | C8 H10 B N2 O6 | SMILES: | O[B-](O)(O)CNC(=O)c1ccccc1[N+]([O-])=O | InChi: | InChI=1S/C8H10BN2O6/c12-8(10-5-9(13,14)15)6-3-1-2-4-7(6)11(16)17/h1-4,13-15H,5H2,(H,10,12)/q-1 | Definition date: | 2010-12-15 | Last modified: | 2024-09-27 | Identifier: | trihydroxy-[[(2-nitrophenyl)carbonylamino]methyl]boron |
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 | ZA4 | Name: | [(2-FLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON | Formula: | C8 H10 B F N O4 | SMILES: | O[B-](O)(O)CNC(=O)c1ccccc1F | InChi: | InChI=1S/C8H10BFNO4/c10-7-4-2-1-3-6(7)8(12)11-5-9(13,14)15/h1-4,13-15H,5H2,(H,11,12)/q-1 | Definition date: | 2010-12-15 | Last modified: | 2024-09-27 | Identifier: | [(2-fluorophenyl)carbonylamino]methyl-trihydroxy-boron |
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 | KZG | Name: | {(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}aceti
c acid | Formula: | C14 H14 I N3 O4 S | SMILES: | NC(CS)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(c(cc2)O)I | InChi: | InChI=1S/C14H14IN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/b10-4-/t9-/m0/s1 | Synonyms: | CHROMOPHORE (CYS-TYR-GLY)3-I | Definition date: | 2019-01-28 | Last modified: | 2024-09-27 | Release date: | 2019-06-12 | Identifier: | {(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | ZA5 | Name: | [(2,6-DIFLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON | Formula: | C8 H9 B F2 N O4 | SMILES: | O[B-](O)(O)CNC(=O)c1c(F)cccc1F | InChi: | InChI=1S/C8H9BF2NO4/c10-5-2-1-3-6(11)7(5)8(13)12-4-9(14,15)16/h1-3,14-16H,4H2,(H,12,13)/q-1 | Definition date: | 2010-12-15 | Last modified: | 2024-09-27 | Identifier: | [(2,6-difluorophenyl)carbonylamino]methyl-trihydroxy-boron |
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 | KKC | Name: | delta-{1-([2,2'-bipyridin]-5-ylmethyl)pyrrolidine-2,5-dione}bis[2-(2,4-difluorophenyl)pyridine)]iridium(III) | Formula: | C37 H25 F4 Ir N5 O2 | SMILES: | Fc1cc(F)c(c([Ir+3]c2cc(F)cc(F)c2c3ccccn3)c1)c4ccccn4.O=C5CCC(=O)N5Cc6ccc(nc6)c7ccccn7 | InChi: | InChI=1S/C15H13N3O2.2C11H6F2N.Ir/c19-14-6-7-15(20)18(14)10-11-4-5-13(17-9-11)12-3-1-2-8-16-12 | Definition date: | 2022-09-23 | Last modified: | 2024-09-27 | Release date: | 2023-03-15 |
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 | 4IT | Name: | N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Formula: | C23 H31 N5 O4 | SMILES: | COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=N | InChi: | InChI=1S/C23H31N5O4/c1-13(2)9-18(22(30)26-15(12-24)10-14-7-8-25-21(14)29)28-23(31)19-11-16-17(27-19)5-4-6-20(16)32-3/h4-6,11-15,18,24,27H,7-10H2,1-3H3,(H,25,29)(H,26,30)(H,28,31)/b24-12+/t14-,15-,18-/m0/s1 | Definition date: | 2021-07-09 | Last modified: | 2024-09-27 | Release date: | 2021-09-01 | Identifier: | N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide |
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 | UOX | Name: | 3-(oxido-lambda~4~-selanyl)-L-alanine | Formula: | C3 H6 N O3 Se | SMILES: | O=C(O)C(N)C[SeH]=O | InChi: | InChI=1S/C3H6NO3Se/c4-2(1-8-7)3(5)6/h2H,1,4H2,(H,5,6)/q-1/t2-/m0/s1 | Definition date: | 2013-06-13 | Last modified: | 2024-09-27 | Identifier: | 3-(oxido-lambda~4~-selanyl)-L-alanine |
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 | S9Z | Name: | ~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide | Formula: | C25 H30 Br N3 O3 | SMILES: | CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(Br)cc3 | InChi: | InChI=1S/C25H30BrN3O3/c1-3-25(4-2,18-30)24(32)27-22-7-5-6-20(16-22)23(31)29-14-12-28(13-15-29)17-19-8-10-21(26)11-9-19/h5-11,16,18H,3-4,12-15,17H2,1-2H3,(H,27,32) | Definition date: | 2020-11-13 | Last modified: | 2024-09-27 | Release date: | 2021-06-30 | Identifier: | ~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide |
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 | SPD | Name: | SPERMIDINE | Formula: | C7 H19 N3 | SMILES: | NCCCNCCCCN | InChi: | InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 | Synonyms: | N-(2-AMINO-PROPYL)-1,4-DIAMINOBUTANE | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | N-(3-aminopropyl)butane-1,4-diamine |
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