 | | A1L9J | | Name: | ~{N}-[5-[2-fluoranyl-5-[4-[[4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-2,1,3-benzoxadiazol-7-yl]amino]butylcarbamoyl]phenyl]-2-[(3~{R},5~{S})-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1~{H}-pyridine-3-carboxamide | | Formula: | C37 H38 F4 N9 O6 | | SMILES: | C[CH]1CN(C[CH](C)N1C)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cc(ccc4F)C(=O)NCCCCNc5ccc(c6nonc56)[N+](O)=O | | InChi: | InChI=1S/C37H37F4N9O6/c1-20-18-49(19-21(2)48(20)3)30-10-7-22(15-29(30)45-36(53)25-17-44-32(51)16-26(25)37(39,40)41)24-14-23(6-8-27(24)38)35(52)43-13-5-4-12-42-28-9-11-31(50(54)55)34-33(28)46-56-47-34/h6-11,14-17,20-21H,4-5,12-13,18-19H2,1-3H3,(H4-,42,43,44,45,47,51,52,53,54,55)/p+1/t20-,21+ | | Definition date: | 2025-05-02 | | Last modified: | 2026-04-24 | | Release date: | 2026-04-29 | | Identifier: | [7-[4-[[4-fluoranyl-3-[3-[[6-oxidanylidene-4-(trifluoromethyl)-1~{H}-pyridin-3-yl]carbonylamino]-4-[(3~{R},5~{S})-3,4,5-trimethylpiperazin-1-yl]phenyl]phenyl]carbonylamino]butylamino]-2,1,3-benzoxadiazol-4-yl]-oxidanyl-oxidanylidene-azanium |
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 | | A1B7F | | Name: | N-[10-(but-2-yn-1-yl)-3-fluoro-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide | | Formula: | C26 H18 F N3 O4 S | | SMILES: | O=C1Oc2ccc(cc2N1C)C(=O)Nc1ccc2N(CC#CC)C(=O)c3ccc(F)cc3Sc2c1 | | InChi: | InChI=1S/C26H18FN3O4S/c1-3-4-11-30-19-9-7-17(14-23(19)35-22-13-16(27)6-8-18(22)25(30)32)28-24(31)15-5-10-21-20(12-15)29(2)26(33)34-21/h5-10,12-14H,11H2,1-2H3,(H,28,31) | | Definition date: | 2025-03-31 | | Last modified: | 2026-04-24 | | Release date: | 2026-04-29 | | Identifier: | N-[10-(but-2-yn-1-yl)-3-fluoro-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide |
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 | | A1JAA | | Name: | ~{N}-(5-aminocarbonyl-1~{H}-pyrrol-3-yl)-2-(aminomethyl)-1,3-thiazole-5-carboxamide | | Formula: | C10 H11 N5 O2 S | | SMILES: | NCc1sc(cn1)C(=O)Nc2c[nH]c(c2)C(N)=O | | InChi: | InChI=1S/C10H11N5O2S/c11-2-8-14-4-7(18-8)10(17)15-5-1-6(9(12)16)13-3-5/h1,3-4,13H,2,11H2,(H2,12,16)(H,15,17) | | Definition date: | 2025-04-07 | | Last modified: | 2026-04-24 | | Release date: | 2026-04-29 | | Identifier: | ~{N}-(5-aminocarbonyl-1~{H}-pyrrol-3-yl)-2-(aminomethyl)-1,3-thiazole-5-carboxamide |
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 | | A1JBA | | Name: | 2,5-dichloro-4-methylthiophene-3-sulfonamide | | Formula: | C5 H5 Cl2 N O2 S2 | | SMILES: | Cc1c(Cl)sc(Cl)c1[S](N)(=O)=O | | InChi: | InChI=1S/C5H5Cl2NO2S2/c1-2-3(12(8,9)10)5(7)11-4(2)6/h1H3,(H2,8,9,10) | | Synonyms: | 2,5-bis(chloranyl)-4-methyl-thiophene-3-sulfonamide | | Definition date: | 2025-04-16 | | Last modified: | 2026-04-24 | | Release date: | 2026-04-29 | | Identifier: | 2,5-bis(chloranyl)-4-methyl-thiophene-3-sulfonamide |
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 | | A1JBB | | Name: | thiophene-3-sulfonamide | | Formula: | C4 H5 N O2 S2 | | SMILES: | N[S](=O)(=O)c1cscc1 | | InChi: | InChI=1S/C4H5NO2S2/c5-9(6,7)4-1-2-8-3-4/h1-3H,(H2,5,6,7) | | Definition date: | 2025-04-16 | | Last modified: | 2026-04-24 | | Release date: | 2026-04-29 | | Identifier: | thiophene-3-sulfonamide |
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 | | A1JBP | | Name: | Trigonelline | | Formula: | C7 H8 N O2 | | SMILES: | C[n+]1cccc(c1)C(O)=O | | InChi: | InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3/p+1 | | Synonyms: | 1-methylpyridin-1-ium-3-carboxylic acid | | Definition date: | 2025-05-01 | | Last modified: | 2026-04-24 | | Release date: | 2026-04-29 | | Identifier: | 1-methylpyridin-1-ium-3-carboxylic acid |
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 | | RBF | | Name: | RIBOFLAVIN | | Formula: | C17 H20 N4 O6 | | SMILES: | N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 | | Synonyms: | RIBOFLAVINE | | Definition date: | 1999-07-08 | | Last modified: | 2026-04-24 | | Identifier: | 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol |
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 | | 2IZ | | Name: | 5-fluoro-2-[(4-{7-[(1S,3S,4R)-5-methylidene-2-azabicyclo[2.2.2]octane-3-carbonyl]-2,7-diazaspiro[3.5]nonan-2-yl}pyrimidin-5-yl)oxy]-N,N-di(propan-2-yl)benzamide | | Formula: | C33 H43 F N6 O3 | | SMILES: | CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(CC2)C(=O)C2NC3CC(=C)C2CC3)C1 | | InChi: | InChI=1S/C33H43FN6O3/c1-20(2)40(21(3)4)31(41)26-15-23(34)6-9-27(26)43-28-16-35-19-36-30(28)39-17-33(18-39)10-12-38(13-11-33)32(42)29-25-8-7-24(37-29)14-22(25)5/h6,9,15-16,19-21,24-25,29,37H,5,7-8,10-14,17-18H2,1-4H3/t24-,25+,29-/m0/s1 | | Definition date: | 2023-07-11 | | Last modified: | 2026-04-24 | | Release date: | 2026-04-29 | | Identifier: | 5-fluoro-2-[(4-{7-[(1S,3S,4R)-5-methylidene-2-azabicyclo[2.2.2]octane-3-carbonyl]-2,7-diazaspiro[3.5]nonan-2-yl}pyrimidin-5-yl)oxy]-N,N-di(propan-2-yl)benzamide |
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 | | A1C2O | | Name: | (5Z)-3-butyl-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione | | Formula: | C14 H13 Cl2 N O3 S | | SMILES: | O=C1SC(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N1CCCC | | InChi: | InChI=1S/C14H13Cl2NO3S/c1-2-3-4-17-13(19)11(21-14(17)20)7-8-5-9(15)12(18)10(16)6-8/h5-7,18H,2-4H2,1H3 | | Definition date: | 2025-12-08 | | Last modified: | 2026-04-24 | | Release date: | 2026-04-29 | | Identifier: | (5Z)-3-butyl-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione |
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 | | A1C8V | | Name: | (7R)-8-cyclopentyl-2-(3,5-dichloro-4-hydroxyanilino)-5-methyl-7-[(pyridin-2-yl)methyl]-7,8-dihydropteridin-6(5H)-one | | Formula: | C24 H24 Cl2 N6 O2 | | SMILES: | Clc1cc(cc(Cl)c1O)Nc1ncc2c(n1)N(C(Cc1ccccn1)C(=O)N2C)C1CCCC1 | | InChi: | InChI=1S/C24H24Cl2N6O2/c1-31-20-13-28-24(29-15-10-17(25)21(33)18(26)11-15)30-22(20)32(16-7-2-3-8-16)19(23(31)34)12-14-6-4-5-9-27-14/h4-6,9-11,13,16,19,33H,2-3,7-8,12H2,1H3,(H,28,29,30)/t19-/m1/s1 | | Definition date: | 2026-02-21 | | Last modified: | 2026-04-24 | | Release date: | 2026-04-29 | | Identifier: | (7R)-8-cyclopentyl-2-(3,5-dichloro-4-hydroxyanilino)-5-methyl-7-[(pyridin-2-yl)methyl]-7,8-dihydropteridin-6(5H)-one |
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 | | A1DD0 | | Name: | (SP-4-2')-[2,2'-{ethane-1,2-diylbis[(azanylylidene-kappaN)methanylylidene]}bis(4,6-di-tert-butylphenolato-kappaO)]cobalt | | Formula: | C32 H46 Co N2 O2 | | SMILES: | CC(C)(C)c1cc2C=[N+]3CC[N+]4=Cc5cc(cc(c5O[Co]34Oc2c(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C | | InChi: | InChI=1S/C32H48N2O2.Co/c1-29(2,3)23-15-21(27(35)25(17-23)31(7,8)9)19-33-13-14-34-20-22-16-24(30(4,5)6)18-26(28(22)36)32(10,11)12 | | Definition date: | 2026-04-22 | | Last modified: | 2026-04-24 | | Release date: | 2026-04-29 | | Identifier: | (SP-4-2')-[2,2'-{ethane-1,2-diylbis[(azanylylidene-kappaN)methanylylidene]}bis(4,6-di-tert-butylphenolato-kappaO)]cobalt(2+) |
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 | | A1E3H | | Name: | ~{N}-[4-[(2~{S})-2-[2-[4-[2-(3-cyanophenyl)ethanoyl]piperazin-1-yl]ethyl]piperidin-1-yl]sulfonylphenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide | | Formula: | C32 H36 F3 N7 O4 S | | SMILES: | Cn1nc(cc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCCC[CH]3CCN4CCN(CC4)C(=O)Cc5cccc(c5)C#N)C(F)(F)F | | InChi: | InChI=1S/C32H36F3N7O4S/c1-39-28(21-29(38-39)32(33,34)35)31(44)37-25-8-10-27(11-9-25)47(45,46)42-13-3-2-7-26(42)12-14-40-15-17-41(18-16-40)30(43)20-23-5-4-6-24(19-23)22-36/h4-6,8-11,19,21,26H,2-3,7,12-18,20H2,1H3,(H,37,44)/t26-/m0/s1 | | Definition date: | 2026-01-10 | | Last modified: | 2026-04-24 | | Release date: | 2026-04-29 | | Identifier: | ~{N}-[4-[(2~{S})-2-[2-[4-[2-(3-cyanophenyl)ethanoyl]piperazin-1-yl]ethyl]piperidin-1-yl]sulfonylphenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide |
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 | | A1EX3 | | Name: | 4-[(4-chlorophenyl)methyl]-1-furo[3,2-c]pyridin-4-yl-piperidin-4-amine | | Formula: | C19 H20 Cl N3 O | | SMILES: | NC1(CCN(CC1)c2nccc3occc23)Cc4ccc(Cl)cc4 | | InChi: | InChI=1S/C19H20ClN3O/c20-15-3-1-14(2-4-15)13-19(21)7-10-23(11-8-19)18-16-6-12-24-17(16)5-9-22-18/h1-6,9,12H,7-8,10-11,13,21H2 | | Definition date: | 2025-09-12 | | Last modified: | 2026-04-24 | | Release date: | 2026-04-29 | | Identifier: | 4-[(4-chlorophenyl)methyl]-1-furo[3,2-c]pyridin-4-yl-piperidin-4-amine |
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 | | A1EX4 | | Name: | 6-[4-[[4-azanyl-1-[7-[bis(fluoranyl)methyl]pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methyl]phenyl]-2,3-dihydroisoindol-1-one | | Formula: | C27 H26 F2 N6 O | | SMILES: | NC1(CCN(CC1)c2ncnc3n(ccc23)C(F)F)Cc4ccc(cc4)c5ccc6CNC(=O)c6c5 | | InChi: | InChI=1S/C27H26F2N6O/c28-26(29)35-10-7-21-23(32-16-33-24(21)35)34-11-8-27(30,9-12-34)14-17-1-3-18(4-2-17)19-5-6-20-15-31-25(36)22(20)13-19/h1-7,10,13,16,26H,8-9,11-12,14-15,30H2,(H,31,36) | | Definition date: | 2025-09-12 | | Last modified: | 2026-04-24 | | Release date: | 2026-04-29 | | Identifier: | 6-[4-[[4-azanyl-1-[7-[bis(fluoranyl)methyl]pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methyl]phenyl]-2,3-dihydroisoindol-1-one |
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 | | A1JAZ | | Name: | ~{N}-[2-[2-[4-[[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-2-oxidanylidene-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-yl]methoxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl]-2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanamide | | Formula: | C47 H50 Cl3 N11 O6 S2 | | SMILES: | Cc1sc2n3c(C)nnc3[CH](CC(=O)NCCOCCn4cc(COC[CH]5CN(Cc6ccccn6)C(=O)[CH]7CCC[CH]5N7[S](=O)(=O)c8cc(Cl)cc(Cl)c8)nn4)N=C(c9ccc(Cl)cc9)c2c1C | | InChi: | InChI=1S/C47H50Cl3N11O6S2/c1-28-29(2)68-47-43(28)44(31-10-12-33(48)13-11-31)53-39(45-56-54-30(3)60(45)47)22-42(62)52-15-17-66-18-16-59-25-37(55-57-59)27-67-26-32-23-58(24-36-7-4-5-14-51-36)46(63)41-9-6-8-40(32)61(41)69(64,65)38-20-34(49)19-35(50)21-38/h4-5,7,10-14,19-21,25,32,39-41H,6,8-9,15-18,22-24,26-27H2,1-3H3,(H,52,62)/t32-,39+,40-,41+/m1/s1 | | Definition date: | 2025-04-14 | | Last modified: | 2026-04-24 | | Release date: | 2026-04-29 | | Identifier: | ~{N}-[2-[2-[4-[[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-2-oxidanylidene-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-yl]methoxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl]-2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanamide |
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 | | A1MCM | | Name: | (4~{S})-4-[3-chloranyl-4-(2,2-dimethylpropoxy)phenyl]-~{N},~{N},6-trimethyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide | | Formula: | C19 H26 Cl N3 O3 | | SMILES: | CN(C)C(=O)C1=C(C)NC(=O)N[CH]1c2ccc(OCC(C)(C)C)c(Cl)c2 | | InChi: | InChI=1S/C19H26ClN3O3/c1-11-15(17(24)23(5)6)16(22-18(25)21-11)12-7-8-14(13(20)9-12)26-10-19(2,3)4/h7-9,16H,10H2,1-6H3,(H2,21,22,25)/t16-/m0/s1 | | Definition date: | 2025-11-17 | | Last modified: | 2026-04-24 | | Release date: | 2026-04-29 | | Identifier: | (4~{S})-4-[3-chloranyl-4-(2,2-dimethylpropoxy)phenyl]-~{N},~{N},6-trimethyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide |
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 | | A1MGB | | Name: | 3-CN-3-deazaguanosine | | Formula: | C12 H16 N5 O8 P | | SMILES: | NC1=C(C#N)C2=C(NCN2[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)C(=O)N1 | | InChi: | InChI=1S/C12H16N5O8P/c13-1-4-7-6(11(20)16-10(4)14)15-3-17(7)12-9(19)8(18)5(25-12)2-24-26(21,22)23/h5,8-9,12,15,18-19H,2-3H2,(H3,14,16,20)(H2,21,22,23)/t5-,8-,9-,12-/m1/s1 | | Synonyms: | [(2R,3S,4R,5R)-5-(6-azanyl-7-cyano-4-oxidanylidene-3,5-dihydro-2H-imidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | | Definition date: | 2026-04-17 | | Last modified: | 2026-04-24 | | Release date: | 2026-04-29 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-7-cyano-4-oxidanylidene-3,5-dihydro-2~{H}-imidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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 | | A1JIB | | Name: | ~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-[[5-(fluoranylmethyl)-2,6-dimethyl-pyridin-3-yl]methyl]-~{N}4-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide | | Formula: | C33 H42 Cl F N4 O4 S2 | | SMILES: | Cc1nc(C)c(CN(CC2CCNCC2)[S](=O)(=O)c3ccc(cc3)[S](=O)(=O)N(Cc4ccc(Cl)cc4)C5CCCC5)cc1CF | | InChi: | InChI=1S/C33H42ClFN4O4S2/c1-24-28(20-35)19-29(25(2)37-24)23-38(21-27-15-17-36-18-16-27)44(40,41)32-11-13-33(14-12-32)45(42,43)39(31-5-3-4-6-31)22-26-7-9-30(34)10-8-26/h7-14,19,27,31,36H,3-6,15-18,20-23H2,1-2H3 | | Definition date: | 2025-06-26 | | Last modified: | 2026-04-24 | | Release date: | 2026-04-29 | | Identifier: | ~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-[[5-(fluoranylmethyl)-2,6-dimethyl-pyridin-3-yl]methyl]-~{N}4-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide |
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 | | I6W | | Name: | ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate | | Formula: | C14 H12 N2 O4 | | SMILES: | O=C(OCC)c1cnc(cc1)c1ncc(C=O)cc1 | | InChi: | InChI=1S/C14H12N2O4/c1-2-20-14(19)10-4-6-12(16-8-10)11-5-3-9(7-15-11)13(17)18/h3-8H,2H2,1H3,(H,17,18) | | Definition date: | 2022-01-20 | | Last modified: | 2026-04-21 | | Release date: | 2022-04-20 | | Identifier: | ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate |
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 | | I77 | | Name: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide | | Formula: | C12 H11 N5 O2 | | SMILES: | NC(=O)c1cnc(cc1)c1ccc(cn1)C(=O)NN | | InChi: | InChI=1S/C12H11N5O2/c13-11(18)7-1-3-9(15-5-7)10-4-2-8(6-16-10)12(19)17-14/h1-6H,14H2,(H2,13,18)(H,17,19) | | Definition date: | 2022-01-20 | | Last modified: | 2026-04-21 | | Release date: | 2022-04-20 | | Identifier: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide |
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 | | LOH | | Name: | 3,4-dihydroxylysine | | Formula: | C6 H14 N2 O4 | | SMILES: | NCC[CH](O)[CH](O)[CH](N)C(O)=O | | InChi: | InChI=1S/C6H14N2O4/c7-2-1-3(9)5(10)4(8)6(11)12/h3-5,9-10H,1-2,7-8H2,(H,11,12)/t3-,4-,5+/m0/s1 | | Definition date: | 2017-09-08 | | Last modified: | 2026-04-20 | | Release date: | 2018-06-27 | | Identifier: | (2~{S},3~{S},4~{S})-2,6-bis(azanyl)-3,4-bis(oxidanyl)hexanoic acid |
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 | | 0VI | | Name: | 7-(4-bromanyl-2,6-dimethoxy-phenyl)-4,8-dimethyl-~{N},~{N}-bis[4,4,4-tris(fluoranyl)butyl]-1$l^{4},3,5,9-tetrazabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-2-amine | | Formula: | C23 H26 Br F6 N5 O2 | | SMILES: | COc1cc(Br)cc(OC)c1c2c(C)nn3c(nc(C)nc23)N(CCCC(F)(F)F)CCCC(F)(F)F | | InChi: | InChI=1S/C23H26BrF6N5O2/c1-13-18(19-16(36-3)11-15(24)12-17(19)37-4)20-31-14(2)32-21(35(20)33-13)34(9-5-7-22(25,26)27)10-6-8-23(28,29)30/h11-12H,5-10H2,1-4H3 | | Definition date: | 2021-06-16 | | Last modified: | 2026-04-20 | | Release date: | 2023-09-13 | | Identifier: | 8-(4-bromanyl-2,6-dimethoxy-phenyl)-2,7-dimethyl-~{N},~{N}-bis[4,4,4-tris(fluoranyl)butyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine |
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 | | A1CHT | | Name: | (4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonine | | Formula: | C10 H13 N O5 | | SMILES: | OC(c1ccc(O)cc1)C(O)C(N)C(=O)O | | InChi: | InChI=1S/C10H13NO5/c11-7(10(15)16)9(14)8(13)5-1-3-6(12)4-2-5/h1-4,7-9,12-14H,11H2,(H,15,16)/t7-,8-,9-/m0/s1 | | Definition date: | 2025-07-02 | | Last modified: | 2026-04-17 | | Release date: | 2026-04-22 | | Identifier: | (4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonine |
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 | | XDC | | Name: | Phosphocreatine | | Formula: | C4 H10 N3 O5 P | | SMILES: | N/C(=N/P(=O)(O)O)N(C)CC(=O)O | | InChi: | InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12) | | Synonyms: | N-methyl-N-(N'-phosphonocarbamimidoyl)glycine | | Definition date: | 2023-10-30 | | Last modified: | 2026-04-17 | | Release date: | 2026-04-22 | | Identifier: | N-methyl-N-(N'-phosphonocarbamimidoyl)glycine |
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 | | A1DA8 | | Name: | N-(trifluoroacetyl)-D-phenylalanyl-3-cyclopropyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | | Formula: | C24 H30 F3 N5 O4 | | SMILES: | FC(F)(F)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)C=N | | InChi: | InChI=1S/C24H30F3N5O4/c25-24(26,27)23(36)32-19(10-14-4-2-1-3-5-14)22(35)31-18(11-15-6-7-15)21(34)30-17(13-28)12-16-8-9-29-20(16)33/h1-5,13,15-19,28H,6-12H2,(H,29,33)(H,30,34)(H,31,35)(H,32,36)/b28-13-/t16-,17-,18-,19+/m0/s1 | | Definition date: | 2026-03-23 | | Last modified: | 2026-04-17 | | Release date: | 2026-04-22 | | Identifier: | N-(trifluoroacetyl)-D-phenylalanyl-3-cyclopropyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide |
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