 | | XPW | | Name: | 1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile | | Formula: | C25 H28 N6 O3 | | SMILES: | CC(C)(O)c1ncc(nc1)N1CC2(CCCC(C)(Cn3cnc4ccc(C#N)cc43)C2)OC1=O | | InChi: | InChI=1S/C25H28N6O3/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3/t24-,25-/m0/s1 | | Synonyms: | GSK2798745 | | Definition date: | 2022-12-05 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile |
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 | | XQ3 | | Name: | N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide | | Formula: | C28 H32 Cl2 N4 O6 S2 | | SMILES: | Clc1ccc(c(Cl)c1)S(=O)(=O)NC(CO)C(=O)N1CCN(CC1)C(=O)C(CC(C)C)NC(=O)c1cc2ccccc2s1 | | InChi: | InChI=1S/C28H32Cl2N4O6S2/c1-17(2)13-21(31-26(36)24-14-18-5-3-4-6-23(18)41-24)27(37)33-9-11-34(12-10-33)28(38)22(16-35)32-42(39,40)25-8-7-19(29)15-20(25)30/h3-8,14-15,17,21-22,32,35H,9-13,16H2,1-2H3,(H,31,36)/t21-,22-/m0/s1 | | Synonyms: | GSK1016790A | | Definition date: | 2022-12-05 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide |
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 | | XQU | | Name: | nitrosochloramphenicol | | Formula: | C11 H14 Cl2 N2 O4 | | SMILES: | ONc1ccc(cc1)C(O)C(CO)NC(=O)C(Cl)Cl | | InChi: | InChI=1S/C11H14Cl2N2O4/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(15-19)4-2-6/h1-4,8-10,15-17,19H,5H2,(H,14,18)/t8-,9-/m1/s1 | | Synonyms: | 2,2-dichloro-N-{(1R,2R)-1,3-dihydroxy-1-[4-(hydroxyamino)phenyl]propan-2-yl}acetamide | | Definition date: | 2022-12-05 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 2,2-dichloro-N-{(1R,2R)-1,3-dihydroxy-1-[4-(hydroxyamino)phenyl]propan-2-yl}acetamide |
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 | | XY6 | | Name: | 2,3-di-O-sulfo-beta-D-xylopyranose | | Formula: | C5 H10 O11 S2 | | SMILES: | OC1OCC(O)C(OS(=O)(=O)O)C1OS(=O)(=O)O | | InChi: | InChI=1S/C5H10O11S2/c6-2-1-14-5(7)4(16-18(11,12)13)3(2)15-17(8,9)10/h2-7H,1H2,(H,8,9,10)(H,11,12,13)/t2-,3+,4-,5-/m1/s1 | | Definition date: | 2022-08-09 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 2,3-di-O-sulfo-beta-D-xylopyranose |
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 | | LFU | | Name: | ~{N}-(3-azanylpropyl)ethanamide | | Formula: | C5 H12 N2 O | | SMILES: | CC(=O)NCCCN | | InChi: | InChI=1S/C5H12N2O/c1-5(8)7-4-2-3-6/h2-4,6H2,1H3,(H,7,8) | | Definition date: | 2022-07-05 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | ~{N}-(3-azanylpropyl)ethanamide |
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 | | O7O | | Name: | 2-[4-chloranyl-6-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidin-2-yl]sulfanylethanoic acid | | Formula: | C16 H16 Cl N3 O2 S | | SMILES: | OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCCc23)n1 | | InChi: | InChI=1S/C16H16ClN3O2S/c17-13-8-14(20-16(19-13)23-9-15(21)22)18-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-8H,1-2,4,6,9H2,(H,21,22)(H,18,19,20) | | Definition date: | 2022-08-30 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 2-[4-chloranyl-6-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidin-2-yl]sulfanylethanoic acid |
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 | | O86 | | Name: | 2-[4-chloranyl-6-[[3-(2-phenylethoxy)phenyl]amino]pyrimidin-2-yl]sulfanylethanoic acid | | Formula: | C20 H18 Cl N3 O3 S | | SMILES: | OC(=O)CSc1nc(Cl)cc(Nc2cccc(OCCc3ccccc3)c2)n1 | | InChi: | InChI=1S/C20H18ClN3O3S/c21-17-12-18(24-20(23-17)28-13-19(25)26)22-15-7-4-8-16(11-15)27-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,25,26)(H,22,23,24) | | Definition date: | 2022-08-30 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 2-[4-chloranyl-6-[[3-(2-phenylethoxy)phenyl]amino]pyrimidin-2-yl]sulfanylethanoic acid |
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 | | OD3 | | Name: | 1,3-thiazolidine-2,4-dione | | Formula: | C3 H3 N O2 S | | SMILES: | O=C1CSC(=O)N1 | | InChi: | InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6) | | Synonyms: | 2,4-Thiazolidinedione | | Definition date: | 2023-01-31 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 1,3-thiazolidine-2,4-dione |
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 | | ODF | | Name: | 5-oxidanyl-1~{H}-pyrimidine-2,4-dione | | Formula: | C4 H4 N2 O3 | | SMILES: | OC1=CNC(=O)NC1=O | | InChi: | InChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,7H,(H2,5,6,8,9) | | Synonyms: | 5-Hydroxy-2,4(1H,3H)-pyrimidinedion | | Definition date: | 2023-01-31 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 5-oxidanyl-1~{H}-pyrimidine-2,4-dione |
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 | | OG6 | | Name: | 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione | | Formula: | C5 H6 N2 O4 | | SMILES: | OC(O)C1=CC(=O)NC(=O)N1 | | InChi: | InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1,4,9-10H,(H2,6,7,8,11) | | Synonyms: | 6-Formyl-uracil hydrate | | Definition date: | 2023-02-01 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 6-[bis(oxidanyl)methyl]-1~{H}-pyrimidine-2,4-dione |
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 | | OIT | | Name: | ~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide | | Formula: | C20 H21 Cl2 N3 O2 | | SMILES: | NCCCCCCNC(=O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3 | | InChi: | InChI=1S/C20H21Cl2N3O2/c21-15-9-14(10-16(22)12-15)20-25-17-6-5-13(11-18(17)27-20)19(26)24-8-4-2-1-3-7-23/h5-6,9-12H,1-4,7-8,23H2,(H,24,26) | | Synonyms: | Tafamidis derivative | | Definition date: | 2022-09-08 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | ~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide |
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 | | OJF | | Name: | [(2~{R})-3-[(2~{R})-3-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-6-[(2-aminophenyl)carbonylamino]-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate | | Formula: | C73 H131 N7 O12 S | | SMILES: | CCCCCCCCCCCCCCCC(=O)N[CH](CSC[CH](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[CH](CO)C(=O)N[CH](CO)C(=O)N[CH](CCCCNC(=O)c1ccccc1N)C(N)=O | | InChi: | InChI=1S/C73H131N7O12S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-50-66(83)77-65(73(90)80-64(55-82)72(89)79-63(54-81)71(88)78-62(69(75)86)49-45-46-53-76-70(87)60-47-43-44-48-61(60)74)58-93-57-59(92-68(85)52-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-91-67(84)51-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h43-44,47-48,59,62-65,81-82H,4-42,45-46,49-58,74H2,1-3H3,(H2,75,86)(H,76,87)(H,77,83)(H,78,88)(H,79,89)(H,80,90)/t59-,62-,63-,64-,65+/m1/s1 | | Definition date: | 2022-09-09 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | [(2~{R})-3-[(2~{R})-3-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-6-[(2-aminophenyl)carbonylamino]-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate |
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 | | OU9 | | Name: | [(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate | | Formula: | C23 H46 N O7 P | | SMILES: | CCCCCCCCC=CCCCCCCCC(=O)O[CH](CO)CO[P](O)(=O)OCCN | | InChi: | InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m0/s1 | | Definition date: | 2022-09-21 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | [(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate |
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 | | JN0 | | Name: | 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one | | Formula: | C20 H18 O6 | | SMILES: | CC(C)=CCc1cc(cc(O)c1O)C2=COc3cc(O)cc(O)c3C2=O | | InChi: | InChI=1S/C20H18O6/c1-10(2)3-4-11-5-12(6-16(23)19(11)24)14-9-26-17-8-13(21)7-15(22)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3 | | Synonyms: | Glycyrrhisoflavone | | Definition date: | 2022-08-23 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one |
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 | | JU3 | | Name: | 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one | | Formula: | C20 H18 O6 | | SMILES: | CC(C)=CCc1c(O)ccc(c1O)C2=COc3cc(O)cc(O)c3C2=O | | InChi: | InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3 | | Synonyms: | Licoisoflavone A | | Definition date: | 2022-08-27 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one |
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 | | 7WT | | Name: | Z-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoic acid | | Formula: | C23 H34 O5 | | SMILES: | O[CH](CC[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O)CCc2ccccc2 | | InChi: | InChI=1S/C23H34O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,18-22,24-26H,2,7,10-16H2,(H,27,28)/b6-1-/t18-,19+,20+,21-,22+/m0/s1 | | Synonyms: | 7-[3,5-Dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoic acid | | Definition date: | 2023-03-13 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-3,5-bis(oxidanyl)-2-[(3~{R})-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoic acid |
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 | | PQI | | Name: | 1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one | | Formula: | C23 H25 Cl N4 O2 | | SMILES: | CCC(=O)N1CCN2Cc3ccc(c(Cl)c3OC[CH]2C1)c4c(C)ccc5n[nH]cc45 | | InChi: | InChI=1S/C23H25ClN4O2/c1-3-20(29)28-9-8-27-11-15-5-6-17(22(24)23(15)30-13-16(27)12-28)21-14(2)4-7-19-18(21)10-25-26-19/h4-7,10,16H,3,8-9,11-13H2,1-2H3,(H,25,26)/t16-/m0/s1 | | Definition date: | 2022-10-04 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one |
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 | | QGT | | Name: | ~{N}-tridecylmethanethioamide | | Formula: | C14 H29 N S | | SMILES: | CCCCCCCCCCCCCNC=S | | InChi: | InChI=1S/C14H29NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16/h14H,2-13H2,1H3,(H,15,16) | | Synonyms: | Tetradecyl-1-isothiocyanate (reacted form) | | Definition date: | 2020-06-16 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | ~{N}-tridecylmethanethioamide |
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 | | S2F | | Name: | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid | | Formula: | C22 H28 F2 O5 | | SMILES: | O[CH]1C[CH](O)[CH](C=CC(F)(F)COc2ccccc2)[CH]1CC=CCCCC(O)=O | | InChi: | InChI=1S/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1-,13-12+/t17-,18-,19+,20-/m1/s1 | | Synonyms: | Tafluprost acid | | Definition date: | 2023-04-08 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid |
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 | | SWC | | Name: | N-{(2R)-2-hydroxy-3,3-dimethyl-4-[(trihydroxy-lambda~5~-phosphanyl)oxy]butanoyl}-beta-alanyl-N-(2-{4-[fluoro(dihydroxy)-lambda~4~-sulfanyl]phenyl}ethyl)-beta-alaninamide | | Formula: | C20 H33 F N3 O10 P S | | SMILES: | OS(F)(O)c1ccc(CCNC(=O)CCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)cc1 | | InChi: | InChI=1S/C20H33FN3O10PS/c1-20(2,13-34-35(29,30)31)18(27)19(28)24-12-9-17(26)23-11-8-16(25)22-10-7-14-3-5-15(6-4-14)36(21,32)33/h3-6,18,27,32-33H,7-13H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H2,29,30,31)/t18-/m0/s1 | | Definition date: | 2022-07-12 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-N-(2-{4-[fluoro(dihydroxy)-lambda~4~-sulfanyl]phenyl}ethyl)-beta-alaninamide |
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 | | PUO | | Name: | 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one | | Formula: | C24 H24 Cl F N2 O3 | | SMILES: | CCC(=O)N1CCN2Cc3cc(C#CC)c(c(F)c3OC[CH]2C1)c4c(O)cccc4Cl | | InChi: | InChI=1S/C24H24ClFN2O3/c1-3-6-15-11-16-12-27-9-10-28(20(30)4-2)13-17(27)14-31-24(16)23(26)21(15)22-18(25)7-5-8-19(22)29/h5,7-8,11,17,29H,4,9-10,12-14H2,1-2H3/t17-/m1/s1 | | Definition date: | 2022-10-04 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one |
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 | | UJI | | Name: | tetrakis(oxidanyl)antimony | | Formula: | H4 O4 Sb | | SMILES: | O[Sb](O)(O)O | | InChi: | InChI=1S/4H2O.Sb.H/h4*1H2 | | Synonyms: | antimony oxyanion | | Definition date: | 2023-02-06 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | tetrakis(oxidanyl)antimony |
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 | | UU0 | | Name: | 9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate | | Formula: | C24 H32 O6 | | SMILES: | C[CH]1C[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[C]35O[CH]5C[C]2(C)[C]1(O)C(=O)COC(C)=O | | InChi: | InChI=1S/C24H32O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-21(15,3)24(17)20(30-24)11-22(18,4)23(13,28)19(27)12-29-14(2)25/h10,13,17-18,20,28H,5-9,11-12H2,1-4H3/t13-,17+,18-,20+,21+,22+,23+,24-/m1/s1 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 |
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 | | ZAI | | Name: | (2~{S})-2-azanyl-6-[[(~{R})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-[[(2~{S})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]amino]hexanoic acid | | Formula: | C17 H29 N4 O9 P S | | SMILES: | Cc1ncc(CO[P](O)(O)=O)c([CH](NCCCC[CH](N)C(O)=O)N[CH](CS)C(O)=O)c1O | | InChi: | InChI=1S/C17H29N4O9PS/c1-9-14(22)13(10(6-20-9)7-30-31(27,28)29)15(21-12(8-32)17(25)26)19-5-3-2-4-11(18)16(23)24/h6,11-12,15,19,21-22,32H,2-5,7-8,18H2,1H3,(H,23,24)(H,25,26)(H2,27,28,29)/t11-,12+,15+/m0/s1 | | Definition date: | 2022-07-05 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | (2~{S})-2-azanyl-6-[[(~{R})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-[[(2~{S})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]amino]hexanoic acid |
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 | | YDB | | Name: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid | | Formula: | C9 H12 B N7 O5 S2 | | SMILES: | O=C(CSc1nnc(N)s1)NC(Cn1cc(nn1)C(=O)O)B(O)O | | InChi: | InChI=1S/C9H12BN7O5S2/c11-8-14-15-9(24-8)23-3-6(18)12-5(10(21)22)2-17-1-4(7(19)20)13-16-17/h1,5,21-22H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/t5-/m0/s1 | | Definition date: | 2023-01-25 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid |
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