 | | JYD | | Name: | (2S)-2-sulfanylbutanedioic acid | | Formula: | C4 H6 O4 S | | SMILES: | C(C(=O)O)C(S)C(O)=O | | InChi: | InChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)/t2-/m0/s1 | | Synonyms: | thiomalate | | Definition date: | 2018-10-18 | | Last modified: | 2020-06-17 | | Release date: | 2019-01-30 | | Identifier: | (2S)-2-sulfanylbutanedioic acid |
|
 | | JZA | | Name: | 4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine | | Formula: | C7 H12 N2 O4 S | | SMILES: | O=C(N1CCOCC1)N2CCS2(=O)=O | | InChi: | InChI=1S/C7H12N2O4S/c10-7(8-1-4-13-5-2-8)9-3-6-14(9,11)12/h1-6H2 | | Synonyms: | beta-sultam | | Definition date: | 2009-08-10 | | Last modified: | 2020-06-17 | | Identifier: | (1,1-dioxido-1,2-thiazetidin-2-yl)(morpholin-4-yl)methanone |
|
 | | JZQ | | Name: | (4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-
inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | | Formula: | C33 H35 F2 N3 O6 S | | SMILES: | O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O)C(NC(=O)COc3c(F)cccc3F)Cc4ccccc4)CSC5(C)C | | InChi: | InChI=1S/C33H35F2N3O6S/c1-33(2)30(31(42)37-27-21-12-7-6-11-20(21)16-25(27)39)38(18-45-33)32(43)28(41)24(15-19-9-4-3-5-10-19)36-26(40)17-44-29-22(34)13-8-14-23(29)35/h3-14,24-25,27-28,30,39,41H,15-18H2,1-2H3,(H,36,40)(H,37,42)/t24-,25+,27-,28-,30+/m0/s1 | | Synonyms: | KNI-10265 | | Definition date: | 2009-10-23 | | Last modified: | 2020-06-17 | | Identifier: | (4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
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 | | K1R | | Name: | (2S)-2-AMINO-4-[({[(2R)-2-AMINO-2-CARBOXYETHYL]THIO}AMINO)SULFINYL]BUTANOIC ACID | | Formula: | C7 H15 N3 O5 S2 | | SMILES: | O=S(NSCC(N)C(=O)O)CCC(C(=O)O)N | | InChi: | InChI=1S/C7H15N3O5S2/c8-4(6(11)12)1-2-17(15)10-16-3-5(9)7(13)14/h4-5,10H,1-3,8-9H2,(H,11,12)(H,13,14)/t4-,5-,17+/m0/s1 | | Synonyms: | N-THIOSULFOXIMIDE | | Definition date: | 2006-03-17 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-amino-4-[(R)-({[(2R)-2-amino-2-carboxyethyl]sulfanyl}amino)sulfinyl]butanoic acid |
|
 | | K21 | | Name: | 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-BENZOTHIAZEPINE | | Formula: | C25 H32 N2 O2 S | | SMILES: | O=C(N1Cc2c(SCC1)ccc(OC)c2)CCN4CCC(Cc3ccccc3)CC4 | | InChi: | InChI=1S/C25H32N2O2S/c1-29-23-7-8-24-22(18-23)19-27(15-16-30-24)25(28)11-14-26-12-9-21(10-13-26)17-20-5-3-2-4-6-20/h2-8,18,21H,9-17,19H2,1H3 | | Synonyms: | K201 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 4-[3-(4-benzylpiperidin-1-yl)propanoyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine |
|
 | | K37 | | Name: | 4,5,6,7-TETRABROMO-2-(METHYLSULFANYL)-1H-BENZIMIDAZOLE | | Formula: | C8 H4 Br4 N2 S | | SMILES: | Brc2c1nc(SC)nc1c(Br)c(Br)c2Br | | InChi: | InChI=1S/C8H4Br4N2S/c1-15-8-13-6-4(11)2(9)3(10)5(12)7(6)14-8/h1H3,(H,13,14) | | Synonyms: | S-METHYL-4,5,6,7-TETRABROMO-BENZIMIDAZOLE | | Definition date: | 2005-05-18 | | Last modified: | 2020-06-17 | | Identifier: | 4,5,6,7-tetrabromo-2-(methylsulfanyl)-1H-benzimidazole |
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 | | K44 | | Name: | 5,6,7,8-TETRABROMO-1-METHYL-2,3-DIHYDRO-1H-IMIDAZO[1,2-A]BENZIMIDAZOLE | | Formula: | C10 H7 Br4 N3 | | SMILES: | Brc1c2nc3n(c2c(Br)c(Br)c1Br)CCN3C | | InChi: | InChI=1S/C10H7Br4N3/c1-16-2-3-17-9-7(14)5(12)4(11)6(13)8(9)15-10(16)17/h2-3H2,1H3 | | Synonyms: | N1,N2-ETHYLENE-2-METHYLAMINO-4,5,6,7-TETRABROMO-BENZIMIDAZOLE | | Definition date: | 2005-05-18 | | Last modified: | 2020-06-17 | | Identifier: | 5,6,7,8-tetrabromo-1-methyl-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole |
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 | | K4V | | Name: | 4-nitrophenyl acetate | | Formula: | C8 H7 N O4 | | SMILES: | c1(ccc(OC(=O)C)cc1)[N+]([O-])=O | | InChi: | InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3 | | Synonyms: | P-NITROPHENYL ACETATE | | Definition date: | 2018-10-30 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-26 | | Identifier: | 4-nitrophenyl acetate |
|
 | | K53 | | Name: | (5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2
-oxo-1,3-oxazolidine-5-carboxamide | | Formula: | C31 H35 N3 O9 S | | SMILES: | O=C(NC(Cc1ccccc1)C(O)CN(CC(C)C)S(=O)(=O)c3cc2OCOc2cc3)C5OC(=O)N(c4c(O)cccc4)C5 | | InChi: | InChI=1S/C31H35N3O9S/c1-20(2)16-33(44(39,40)22-12-13-27-28(15-22)42-19-41-27)17-26(36)23(14-21-8-4-3-5-9-21)32-30(37)29-18-34(31(38)43-29)24-10-6-7-11-25(24)35/h3-13,15,20,23,26,29,35-36H,14,16-19H2,1-2H3,(H,32,37)/t23-,26+,29-/m0/s1 | | Synonyms: | (5S)-N-[(1S,2R)-3-[(1,3-Benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-(2-hydroxyp
henyl)-2-oxooxazolidine-5-carboxamide | | Definition date: | 2010-05-12 | | Last modified: | 2020-06-17 | | Identifier: | (5S)-N-{(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide |
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 | | K55 | | Name: | (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | | Formula: | C24 H27 F4 N O4 | | SMILES: | FC(F)(F)c1ccc(c(F)c1)C(=O)NCc2cc(ccc2OCCCC)CC(C(=O)O)CC | | InChi: | InChI=1S/C24H27F4NO4/c1-3-5-10-33-21-9-6-15(11-16(4-2)23(31)32)12-17(21)14-29-22(30)19-8-7-18(13-20(19)25)24(26,27)28/h6-9,12-13,16H,3-5,10-11,14H2,1-2H3,(H,29,30)(H,31,32)/t16-/m0/s1 | | Synonyms: | (S)-2-{4-butoxy-3-[(2-fluoro-4-trifluoromethylbenzoylamino)methyl]benzyl} butyric acid | | Definition date: | 2008-05-09 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid |
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 | | K57 | | Name: | (4R)-N-tert-butyl-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli
dine-4-carboxamide | | Formula: | C28 H37 N3 O5 S | | SMILES: | O=C(NC(C)(C)C)C3N(C(=O)C(O)C(NC(=O)c1cccc(O)c1C)Cc2ccccc2)CSC3(C)C | | InChi: | InChI=1S/C28H37N3O5S/c1-17-19(13-10-14-21(17)32)24(34)29-20(15-18-11-8-7-9-12-18)22(33)26(36)31-16-37-28(5,6)23(31)25(35)30-27(2,3)4/h7-14,20,22-23,32-33H,15-16H2,1-6H3,(H,29,34)(H,30,35)/t20-,22-,23+/m0/s1 | | Synonyms: | KNI-577 | | Definition date: | 2002-10-11 | | Last modified: | 2020-06-17 | | Identifier: | (4R)-N-tert-butyl-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
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 | | K60 | | Name: | 5S)-N-[(1S,2R)-3-[(1,3-Benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[3-(tr
ifluoromethyl)phenyl]-5-oxazolidinecarboxamide | | Formula: | C32 H34 F3 N3 O8 S | | SMILES: | FC(F)(F)c1cc(ccc1)N5C(=O)OC(C(=O)NC(Cc2ccccc2)C(O)CN(CC(C)C)S(=O)(=O)c3ccc4OCOc4c3)C5 | | InChi: | InChI=1S/C32H34F3N3O8S/c1-20(2)16-37(47(42,43)24-11-12-27-28(15-24)45-19-44-27)17-26(39)25(13-21-7-4-3-5-8-21)36-30(40)29-18-38(31(41)46-29)23-10-6-9-22(14-23)32(33,34)35/h3-12,14-15,20,25-26,29,39H,13,16-19H2,1-2H3,(H,36,40)/t25-,26+,29-/m0/s1 | | Synonyms: | (5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[3-(trifluoro
methyl)phenyl]-1,3-oxazolidine-5-carboxamide | | Definition date: | 2009-03-06 | | Last modified: | 2020-06-17 | | Identifier: | (5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide |
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 | | K62 | | Name: | (5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)pr
opyl]-2-oxo-5-oxazolidinecarboxamide | | Formula: | C33 H37 N3 O9 S | | SMILES: | O=C(c1cc(ccc1)N5C(=O)OC(C(=O)NC(Cc2ccccc2)C(O)CN(CC(C)C)S(=O)(=O)c3ccc4OCOc4c3)C5)C | | InChi: | InChI=1S/C33H37N3O9S/c1-21(2)17-35(46(41,42)26-12-13-29-30(16-26)44-20-43-29)18-28(38)27(14-23-8-5-4-6-9-23)34-32(39)31-19-36(33(40)45-31)25-11-7-10-24(15-25)22(3)37/h4-13,15-16,21,27-28,31,38H,14,17-20H2,1-3H3,(H,34,39)/t27-,28+,31-/m0/s1 | | Synonyms: | (5S)-3-(3-acetylphenyl)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-
oxo-1,3-oxazolidine-5-carboxamide | | Definition date: | 2009-03-06 | | Last modified: | 2020-06-17 | | Identifier: | (5S)-3-(3-acetylphenyl)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-1,3-oxazolidine-5-carboxamide |
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 | | K7I | | Name: | L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide | | Formula: | C16 H25 N3 O3 | | SMILES: | O=C(NC(C(=O)NC(Cc1ccccc1)C(O)C)C)C(N)C | | InChi: | InChI=1S/C16H25N3O3/c1-10(17)15(21)18-11(2)16(22)19-14(12(3)20)9-13-7-5-4-6-8-13/h4-8,10-12,14,20H,9,17H2,1-3H3,(H,18,21)(H,19,22)/t10-,11-,12+,14-/m0/s1 | | Synonyms: | ALA-ALA-PHE-CHLOROMETHYL KETONE | | Definition date: | 2007-11-12 | | Last modified: | 2020-06-17 | | Identifier: | L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide |
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 | | K95 | | Name: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]ami
no}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | | Formula: | C37 H44 N4 O6 S2 | | SMILES: | O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O)C(NC(=O)C(NC(=O)Cc3ccccc3)CSC)Cc4ccccc4)CSC5(C)C | | InChi: | InChI=1S/C37H44N4O6S2/c1-37(2)33(35(46)40-31-26-17-11-10-16-25(26)20-29(31)42)41(22-49-37)36(47)32(44)27(18-23-12-6-4-7-13-23)39-34(45)28(21-48-3)38-30(43)19-24-14-8-5-9-15-24/h4-17,27-29,31-33,42,44H,18-22H2,1-3H3,(H,38,43)(H,39,45)(H,40,46)/t27-,28-,29+,31-,32-,33+/m0/s1 | | Synonyms: | KNI-10395 | | Definition date: | 2011-04-12 | | Last modified: | 2020-06-17 | | Identifier: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
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 | | KAA | | Name: | 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE | | Formula: | C16 H26 N8 O7 S | | SMILES: | O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CCCCN | | InChi: | InChI=1S/C16H26N8O7S/c17-4-2-1-3-8(18)15(27)23-32(28,29)30-5-9-11(25)12(26)16(31-9)24-7-22-10-13(19)20-6-21-14(10)24/h6-9,11-12,16,25-26H,1-5,17-18H2,(H,23,27)(H2,19,20,21)/t8-,9+,11+,12+,16+/m0/s1 | | Synonyms: | 5'-O-[N-(L-LYSYL)SULFAMOYL]ADENOSINE | | Definition date: | 2007-04-13 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-(L-lysylsulfamoyl)adenosine |
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 | | KAI | | Name: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE | | Formula: | C10 H15 N O4 | | SMILES: | O=C(O)C1NCC(C(=C)C)C1CC(=O)O | | InChi: | InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1 | | Synonyms: | KAINATE | | Definition date: | 1999-09-22 | | Last modified: | 2020-06-17 | | Identifier: | (3S,4S)-3-(carboxymethyl)-4-(1-methylethenyl)-L-proline |
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 | | KB0 | | Name: | 2-(4-hydroxyphenyl)-7-methyl-3-phenyl-1H-inden-5-ol | | Formula: | C22 H18 O2 | | SMILES: | c3(c2CC(c1ccc(cc1)O)=C(c2cc(c3)O)c4ccccc4)C | | InChi: | InChI=1S/C22H18O2/c1-14-11-18(24)12-21-19(14)13-20(15-7-9-17(23)10-8-15)22(21)16-5-3-2-4-6-16/h2-12,23-24H,13H2,1H3 | | Synonyms: | KB095285 | | Definition date: | 2015-04-27 | | Last modified: | 2020-06-17 | | Release date: | 2016-06-29 | | Identifier: | 2-(4-hydroxyphenyl)-7-methyl-3-phenyl-1H-inden-5-ol |
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 | | KBP | | Name: | S-[2-(acetylamino)ethyl] (3R)-3-hydroxydecanethioate | | Formula: | C14 H27 N O3 S | | SMILES: | O=C(SCCNC(=O)C)CC(O)CCCCCCC | | InChi: | InChI=1S/C14H27NO3S/c1-3-4-5-6-7-8-13(17)11-14(18)19-10-9-15-12(2)16/h13,17H,3-11H2,1-2H3,(H,15,16)/t13-/m1/s1 | | Synonyms: | 3-hydroxydecanoyl-N-acetylcysteamine | | Definition date: | 2012-07-03 | | Last modified: | 2020-06-17 | | Release date: | 2012-11-23 | | Identifier: | S-[2-(acetylamino)ethyl] (3R)-3-hydroxydecanethioate |
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 | | KBR | | Name: | Icaridin | | Formula: | C12 H23 N O3 | | SMILES: | CC[CH](C)OC(=O)N1CCCC[CH]1CCO | | InChi: | InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3/t10-,11+/m1/s1 | | Synonyms: | Picaridin | | Definition date: | 2015-11-04 | | Last modified: | 2020-06-17 | | Release date: | 2016-08-31 | | Identifier: | [(2~{R})-butan-2-yl] (2~{S})-2-(2-hydroxyethyl)piperidine-1-carboxylate |
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 | | KCS | | Name: | carbonotrithioic acid | | Formula: | C H2 S3 | | SMILES: | S=C(S)S | | InChi: | InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4) | | Synonyms: | Trithiocarbonic acid | | Definition date: | 2009-10-19 | | Last modified: | 2020-06-17 | | Identifier: | carbonotrithioic acid |
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 | | KE1 | | Name: | meropenem, bound form | | Formula: | C17 H27 N3 O5 S | | SMILES: | C1(C)C(=C(NC1C(C=O)C(C)O)C(O)=O)SC2CNC(C2)C(N(C)C)=O | | InChi: | InChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,18-19,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10-,11-,12-,13-/m1/s1 | | Synonyms: | (4R,5S)-3-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d
ihydro-1H-pyrrole-2-carboxylic acid | | Definition date: | 2018-11-27 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-19 | | Identifier: | (4R,5S)-3-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
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 | | KEA | | Name: | 2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate) | | Formula: | C9 H13 N6 O7 P | | SMILES: | C2(O)C(C(N1C=CC(N)=NC1=O)OC2COP(=O)(O)O)N=[N+]=[N-] | | InChi: | InChI=1S/C9H13N6O7P/c10-5-1-2-15(9(17)12-5)8-6(13-14-11)7(16)4(22-8)3-21-23(18,19)20/h1-2,4,6-8,16H,3H2,(H2,10,12,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | 2'-azidocytidine monophosphate | | Definition date: | 2018-11-28 | | Last modified: | 2020-06-17 | | Release date: | 2019-11-27 | | Identifier: | 2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate) |
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 | | KEF | | Name: | CEFUROXIME (OCT-3-ENE FORM) | | Formula: | C16 H16 N4 O8 S | | SMILES: | O=C2N1C(C(=CSC1C2NC(=O)C(=NOC)/c3occc3)COC(=O)N)C(=O)O | | InChi: | InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,6,10-11,14H,5H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,11-,14-/m1/s1 | | Synonyms: | (6R,7R)-3-CARBAMOYLOXYMETHYL-7-[2-(2-FURYL)-2-(METHOXYIMINO)ACETAMIDO]-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-3-ENE-2-CARB
OXYLIC ACID | | Definition date: | 1999-10-06 | | Last modified: | 2020-06-17 | | Identifier: | (2R,6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid |
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 | | KIR | | Name: | KIRROMYCIN | | Formula: | C43 H60 N2 O12 | | SMILES: | O=C1NC=CC(O)=C1C(=O)C(=CC=CC=CC2OC(C(O)C2O)C(C)C(OC)C(=CC=CCNC(=O)C(CC)C3(O)OC(C=CC=C/C)C(C(O)C3O)(C)C)C)C | | InChi: | InChI=1S/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)/b11-9-,14-12+,17-16+,20-15+,21-13+,25-18+,26-19+/t27-,28-,30-,31+,34+,35+,36-,37+,38+,39-,43-/m1/s1 | | Synonyms: | MOCIMYCIN | | Definition date: | 2002-04-10 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]tetrahydrofuran-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide (non-preferred name) |
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