 | | YJU | | Name: | N-{2-[(1r,4r)-4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | | Formula: | C24 H27 F3 N4 O3 | | SMILES: | FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)C1CCC(CO)CC1 | | InChi: | InChI=1S/C24H27F3N4O3/c1-23(2,34)17-11-19-15(12-31(30-19)16-8-6-14(13-32)7-9-16)10-20(17)29-22(33)18-4-3-5-21(28-18)24(25,26)27/h3-5,10-12,14,16,32,34H,6-9,13H2,1-2H3,(H,29,33)/t14-,16- | | Definition date: | 2023-12-04 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | N-{2-[(1r,4r)-4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide |
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 | | YK0 | | Name: | N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | | Formula: | C24 H21 F3 N4 O3 | | SMILES: | FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)c1ccc(CO)cc1 | | InChi: | InChI=1S/C24H21F3N4O3/c1-23(2,34)17-11-19-15(12-31(30-19)16-8-6-14(13-32)7-9-16)10-20(17)29-22(33)18-4-3-5-21(28-18)24(25,26)27/h3-12,32,34H,13H2,1-2H3,(H,29,33) | | Definition date: | 2023-12-04 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide |
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 | | X6I | | Name: | S-{2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]ethyl}-L-cysteine | | Formula: | C13 H20 N3 O7 P S | | SMILES: | Oc1c(/C=N/CCSCC(N)C(=O)O)c(cnc1C)COP(=O)(O)O | | InChi: | InChI=1S/C13H20N3O7PS/c1-8-12(17)10(9(4-16-8)6-23-24(20,21)22)5-15-2-3-25-7-11(14)13(18)19/h4-5,11,17H,2-3,6-7,14H2,1H3,(H,18,19)(H2,20,21,22)/b15-5+/t11-/m0/s1 | | Definition date: | 2023-06-02 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | S-{2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]ethyl}-L-cysteine |
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 | | P8R | | Name: | 1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane | | Formula: | C24 H50 O12 | | SMILES: | COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC | | InChi: | InChI=1S/C24H50O12/c1-25-3-5-27-7-9-29-11-13-31-15-17-33-19-21-35-23-24-36-22-20-34-18-16-32-14-12-30-10-8-28-6-4-26-2/h3-24H2,1-2H3 | | Definition date: | 2023-08-24 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | 1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane |
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 | | Q2E | | Name: | (2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanal | | Formula: | C12 H14 N2 O2 S | | SMILES: | CSc1[nH]c2ccccc2c1C[CH](N)C(O)=O | | InChi: | InChI=1S/C12H14N2O2S/c1-17-11-8(6-9(13)12(15)16)7-4-2-3-5-10(7)14-11/h2-5,9,14H,6,13H2,1H3,(H,15,16)/t9-/m0/s1 | | Definition date: | 2020-05-07 | | Last modified: | 2024-06-28 | | Release date: | 2021-05-19 | | Identifier: | (2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanoic acid |
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 | | ZS9 | | Name: | dehydrocostus lactone, bound form | | Formula: | C15 H20 O2 | | SMILES: | C=C1CCC2C(C)C(=O)OC2C2C1CCC2=C | | InChi: | InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3/t10-,11-,12+,13-,14+/m0/s1 | | Definition date: | 2023-07-03 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | (3S,3aR,6aR,9aR,9bR)-3-methyl-6,9-dimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one |
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 | | V00 | | Name: | ~{N}-[(3-fluorophenyl)methyl]-1-[(1~{R})-1-(3-methoxynaphthalen-1-yl)ethyl]piperidine-4-carboxamide | | Formula: | C26 H29 F N2 O2 | | SMILES: | COc1cc2ccccc2c(c1)[CH](C)N3CCC(CC3)C(=O)NCc4cccc(F)c4 | | InChi: | InChI=1S/C26H29FN2O2/c1-18(25-16-23(31-2)15-21-7-3-4-9-24(21)25)29-12-10-20(11-13-29)26(30)28-17-19-6-5-8-22(27)14-19/h3-9,14-16,18,20H,10-13,17H2,1-2H3,(H,28,30)/t18-/m1/s1 | | Definition date: | 2023-06-30 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | ~{N}-[(3-fluorophenyl)methyl]-1-[(1~{R})-1-(3-methoxynaphthalen-1-yl)ethyl]piperidine-4-carboxamide |
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 | | Y9T | | Name: | N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | | Formula: | C22 H25 F3 N4 O3 | | SMILES: | FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)CCC(C)(C)O | | InChi: | InChI=1S/C22H25F3N4O3/c1-20(2,31)8-9-29-12-13-10-17(14(21(3,4)32)11-16(13)28-29)27-19(30)15-6-5-7-18(26-15)22(23,24)25/h5-7,10-12,31-32H,8-9H2,1-4H3,(H,27,30) | | Definition date: | 2023-11-28 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
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 | | TUK | | Name: | 2-[2-[(1~{S})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanylidene-2~{H}-imidazol-1-yl]ethanal | | Formula: | C18 H22 N4 O3 S | | SMILES: | CSCC[CH](N)[CH]1N=C(Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O | | InChi: | InChI=1S/C18H22N4O3S/c1-26-7-6-13(19)17-21-15(18(25)22(17)10-16(23)24)8-11-9-20-14-5-3-2-4-12(11)14/h2-5,9,13,17,20H,6-8,10,19H2,1H3,(H,23,24)/t13-,17-/m0/s1 | | Definition date: | 2021-01-13 | | Last modified: | 2024-06-28 | | Release date: | 2022-03-02 | | Identifier: | 2-[2-[(1~{S})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanylidene-2~{H}-imidazol-1-yl]ethanoic acid |
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 | | ZX4 | | Name: | 5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine | | Formula: | C25 H32 N10 O6 S | | SMILES: | O=C(O)C1CC(CCN1CCCc1c[NH]c2N=C(N)NC(=O)c21)SCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C25H32N10O6S/c26-19-16-21(30-9-29-19)35(10-31-16)23-18(37)17(36)14(41-23)8-42-12-3-5-34(13(6-12)24(39)40)4-1-2-11-7-28-20-15(11)22(38)33-25(27)32-20/h7,9-10,12-14,17-18,23,36-37H,1-6,8H2,(H,39,40)(H2,26,29,30)(H4,27,28,32,33,38)/t12-,13-,14-,17-,18-,23-/m1/s1 | | Definition date: | 2023-04-17 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | 5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine |
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 | | S7Z | | Name: | (E)-(4-((2,6-difluoro-4-(hydroxymethyl)phenyl)diazenyl)-2,6-difluorophenyl)methanol | | Formula: | C14 H6 F4 N2 O4 | | SMILES: | OC(=O)c1cc(F)c(N=Nc2c(F)cc(cc2F)C(O)=O)c(F)c1 | | InChi: | InChI=1S/C14H6F4N2O4/c15-7-1-5(13(21)22)2-8(16)11(7)19-20-12-9(17)3-6(14(23)24)4-10(12)18/h1-4H,(H,21,22)(H,23,24)/b20-19- | | Synonyms: | [4-[(~{Z})-[2,6-bis(fluoranyl)-4-(hydroxymethyl)phenyl]diazenyl]-3,5-bis(fluoranyl)phenyl]methanol | | Definition date: | 2020-11-11 | | Last modified: | 2024-06-28 | | Release date: | 2021-12-15 | | Identifier: | 4-[(~{Z})-[4-carboxy-2,6-bis(fluoranyl)phenyl]diazenyl]-3,5-bis(fluoranyl)benzoic acid |
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 | | Q8X | | Name: | (2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanal | | Formula: | C14 H15 N3 O2 S | | SMILES: | N[CH](CSCc1ccc(nc1)c2ccccn2)C(O)=O | | InChi: | InChI=1S/C14H15N3O2S/c15-11(14(18)19)9-20-8-10-4-5-13(17-7-10)12-3-1-2-6-16-12/h1-7,11H,8-9,15H2,(H,18,19)/t11-/m0/s1 | | Definition date: | 2022-07-20 | | Last modified: | 2024-06-28 | | Release date: | 2023-08-16 | | Identifier: | (2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanoic acid |
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 | | QQB | | Name: | ~{N}-[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide | | Formula: | C14 H16 N2 O2 | | SMILES: | N[CH](CNC(O)=O)Cc1cccc2ccccc12 | | InChi: | InChI=1S/C14H16N2O2/c15-12(9-16-14(17)18)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,16H,8-9,15H2,(H,17,18)/t12-/m0/s1 | | Definition date: | 2020-07-23 | | Last modified: | 2024-06-28 | | Release date: | 2021-06-09 | | Identifier: | [(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]carbamic acid |
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 | | QCN | | Name: | (2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanal | | Formula: | C13 H19 N O3 | | SMILES: | CC(C)(C)c1cc(C[CH](N)C(O)=O)ccc1O | | InChi: | InChI=1S/C13H19NO3/c1-13(2,3)9-6-8(4-5-11(9)15)7-10(14)12(16)17/h4-6,10,15H,7,14H2,1-3H3,(H,16,17)/t10-/m0/s1 | | Definition date: | 2020-06-05 | | Last modified: | 2024-06-28 | | Release date: | 2021-06-30 | | Identifier: | (2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanoic acid |
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 | | 0TJ | | Name: | N-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetamide | | Formula: | C15 H15 Br4 N3 O3 | | SMILES: | O=CCCCCCNC(=O)Cn1c2c(Br)c(Br)c(Br)c(Br)c2nc1 | | InChi: | InChI=1S/C15H15Br4N3O3/c16-10-11(17)13(19)15-14(12(10)18)21-7-22(15)6-8(23)20-5-3-1-2-4-9(24)25/h7H,1-6H2,(H,20,23)(H,24,25) | | Definition date: | 2012-06-06 | | Last modified: | 2024-06-28 | | Release date: | 2012-10-12 | | Identifier: | N-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetamide |
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 | | 2UC | | Name: | 1-[3-(2-oxoethyl)benzyl]guanidine | | Formula: | C10 H13 N3 O2 | | SMILES: | O=CCc1cccc(c1)CNC(=[N@H])N | | InChi: | InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-2-7(4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13) | | Definition date: | 2014-02-07 | | Last modified: | 2024-06-28 | | Release date: | 2014-04-09 | | Identifier: | 1-[3-(2-oxoethyl)benzyl]guanidine |
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 | | A1ALE | | Name: | (2S)-2-amino-7-(dimethylamino)-7-oxoheptanoic acid | | Formula: | C9 H18 N2 O3 | | SMILES: | NC(CCCCC(=O)N(C)C)C(=O)O | | InChi: | InChI=1S/C9H18N2O3/c1-11(2)8(12)6-4-3-5-7(10)9(13)14/h7H,3-6,10H2,1-2H3,(H,13,14)/t7-/m0/s1 | | Definition date: | 2024-04-08 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | (2S)-2-amino-7-(dimethylamino)-7-oxoheptanoic acid |
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 | | A1APA | | Name: | cobicistat | | Formula: | C40 H53 N7 O5 S2 | | SMILES: | CC(C)c1nc(CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(Cc2ccccc2)CCC(Cc2ccccc2)NC(=O)OCc2cncs2)cs1 | | InChi: | InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1 | | Synonyms: | (1,3-thiazol-5-yl)methyl {(2R,5R)-5-[(2S)-2-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamamido)-4-(morpholin-4-yl)butanamido]-1,6-diphenylhexan-2-yl}carbamate | | Definition date: | 2024-04-20 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | (1,3-thiazol-5-yl)methyl {(2R,5R)-5-[(2S)-2-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamamido)-4-(morpholin-4-yl)butanamido]-1,6-diphenylhexan-2-yl}carbamate |
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 | | A1APE | | Name: | (2R,3R,4R,5R)-3,4-diacetamido-5-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methoxy)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) | | Formula: | C26 H38 N5 O21 P3 | | SMILES: | O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OCC(OCc3c(COP(=O)(O)O)cnc(C)c3O)C(NC(C)=O)C2NC(C)=O)C(O)C1O | | InChi: | InChI=1S/C26H38N5O21P3/c1-11-21(35)15(14(6-27-11)7-48-53(39,40)41)8-46-16-9-47-25(20(29-13(3)33)19(16)28-12(2)32)51-55(44,45)52-54(42,43)49-10-17-22(36)23(37)24(50-17)31-5-4-18(34)30-26(31)38/h4-6,16-17,19-20,22-25,35-37H,7-10H2,1-3H3,(H,28,32)(H,29,33)(H,42,43)(H,44,45)(H,30,34,38)(H2,39,40,41)/t16-,17+,19-,20+,22+,23+,24+,25+/m0/s1 | | Definition date: | 2024-04-22 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | (2R,3R,4R,5R)-3,4-diacetamido-5-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methoxy)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | A1AUU | | Name: | (4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one | | Formula: | C19 H22 F N3 O2 | | SMILES: | O=C(C1CC(=O)NCC1)N1CCC(CC1)c1c[NH]c2ccc(F)cc12 | | InChi: | InChI=1S/C19H22FN3O2/c20-14-1-2-17-15(10-14)16(11-22-17)12-4-7-23(8-5-12)19(25)13-3-6-21-18(24)9-13/h1-2,10-13,22H,3-9H2,(H,21,24)/t13-/m1/s1 | | Definition date: | 2024-06-10 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | (4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one |
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 | | A1D5D | | Name: | (2~{S})-~{N}-[(4~{S})-6-azanyl-2,2,4-trimethyl-hexyl]-3-naphthalen-1-yl-2-[[2-phenylethyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanamide | | Formula: | C38 H49 N5 O2 | | SMILES: | C[CH](CCN)CC(C)(C)CNC(=O)[CH](Cc1cccc2ccccc12)NC(=O)N(CCc3ccccc3)CCc4ccccn4 | | InChi: | InChI=1S/C38H49N5O2/c1-29(19-22-39)27-38(2,3)28-41-36(44)35(26-32-16-11-15-31-14-7-8-18-34(31)32)42-37(45)43(24-20-30-12-5-4-6-13-30)25-21-33-17-9-10-23-40-33/h4-18,23,29,35H,19-22,24-28,39H2,1-3H3,(H,41,44)(H,42,45)/t29-,35+/m1/s1 | | Synonyms: | L797591 | | Definition date: | 2024-01-03 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | (2~{S})-~{N}-[(4~{S})-6-azanyl-2,2,4-trimethyl-hexyl]-3-naphthalen-1-yl-2-[[2-phenylethyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanamide |
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 | | A1D5E | | Name: | (2~{S},4~{R})-4-(2-azanylethylcarbamoyloxy)pyrrolidine-2-carboxylic acid | | Formula: | C8 H15 N3 O4 | | SMILES: | NCCNC(=O)O[CH]1CN[CH](C1)C(O)=O | | InChi: | InChI=1S/C8H15N3O4/c9-1-2-10-8(14)15-5-3-6(7(12)13)11-4-5/h5-6,11H,1-4,9H2,(H,10,14)(H,12,13)/t5-,6+/m1/s1 | | Synonyms: | 4-((((2-AMINOETHYL)AMINO)CARBONYL)OXY)-L-PROLINE, (4R)- | | Definition date: | 2024-01-04 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | (2~{S},4~{R})-4-(2-azanylethylcarbamoyloxy)pyrrolidine-2-carboxylic acid |
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 | | LTE | | Name: | 1-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]-3-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]guanidine | | Formula: | C18 H29 N9 O5 | | SMILES: | N[CH](CCCNC(=N)NCCC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O | | InChi: | InChI=1S/C18H29N9O5/c19-9(17(30)31)3-1-5-22-18(21)23-6-2-4-10-12(28)13(29)16(32-10)27-8-26-11-14(20)24-7-25-15(11)27/h7-10,12-13,16,28-29H,1-6,19H2,(H,30,31)(H2,20,24,25)(H3,21,22,23)/t9-,10+,12+,13+,16+/m0/s1 | | Definition date: | 2019-09-04 | | Last modified: | 2024-06-28 | | Release date: | 2020-09-30 | | Identifier: | (2~{S})-5-[[~{N}-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]-2-azanyl-pentanoic acid |
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 | | CIV | | Name: | 2-[2-[(1~{S})-1,5-bis(azanyl)pentyl]-4-[(4-hydroxyphenyl)methyl]-5-oxidanylidene-imidazol-1-yl]ethanamide | | Formula: | C17 H23 N4 O4 | | SMILES: | NCCCCC(N)C=1N=C(Cc2ccc(O)cc2)C(=O)[N+]=1CC(N)=O | | InChi: | InChI=1S/C17H22N4O4/c18-8-2-1-3-13(19)16-20-14(17(25)21(16)10-15(23)24)9-11-4-6-12(22)7-5-11/h4-7,13H,1-3,8-10,18-19H2,(H-,22,23,24)/p+1/t13-/m0/s1 | | Synonyms: | CHROMOPHORE (LYS-TYR-GLY) | | Definition date: | 2021-11-22 | | Last modified: | 2024-06-28 | | Release date: | 2022-04-20 | | Identifier: | 3-(2-amino-2-oxoethyl)-2-[(1S)-1,5-diaminopentyl]-5-[(4-hydroxyphenyl)methyl]-4-oxo-4H-imidazol-3-ium |
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 | | C12 | | Name: | 2-(1-AMINO-2-HYDROXYPROPYL)-4-(4-HYDROXYBENZYL)-1-(2-OXOETHYL)-1H-IMIDAZOL-5-OLATE | | Formula: | C15 H18 N3 O5 | | SMILES: | [O-]c1c(nc(n1CC=O)C(N)C(O)C)Cc2ccc(O)cc2 | | InChi: | InChI=1S/C15H19N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-5,8,13,19-20,23H,6-7,16H2,1H3,(H,21,22)/p-1/t8-,13+/m1/s1 | | Synonyms: | PEPTIDE DERIVED CHROMOPHORE | | Definition date: | 2006-02-23 | | Last modified: | 2024-06-28 | | Identifier: | 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-1-(2-oxoethyl)-1H-imidazol-5-olate |
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