 | | 9XK | | Name: | ~{N}-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxidanylidene-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide | | Formula: | C22 H18 N4 O2 S3 | | SMILES: | Cc1ccc2nc(NC(=O)CSC3=NC4=C(SCC4)C(=O)N3c5ccccc5)sc2c1 | | InChi: | InChI=1S/C22H18N4O2S3/c1-13-7-8-15-17(11-13)31-21(23-15)25-18(27)12-30-22-24-16-9-10-29-19(16)20(28)26(22)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,23,25,27) | | Definition date: | 2017-07-26 | | Last modified: | 2018-04-20 | | Release date: | 2018-04-25 | | Identifier: | ~{N}-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxidanylidene-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide |
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 | | SMT | | Name: | 2'-[(METHYLTHIO)ETHYLOXY]-THYMIDINE-5'-MONOPHOSPHATE | | Formula: | C13 H21 N2 O9 P S | | SMILES: | P(=O)(O)(O)OCC1OC(C(C1O)OCCSC)N2C(=O)NC(=O)C(C)=C2 | | InChi: | InChI=1S/C13H21N2O9PS/c1-7-5-15(13(18)14-11(7)17)12-10(22-3-4-26-2)9(16)8(24-12)6-23-25(19,20)21/h5,8-10,12,16H,3-4,6H2,1-2H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1 | | Definition date: | 2002-09-10 | | Last modified: | 2018-03-14 | | Identifier: | 5-methyl-2'-O-[2-(methylsulfanyl)ethyl]uridine 5'-(dihydrogen phosphate) |
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 | | BU7 | | Name: | (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | | Formula: | C14 H15 N O2 S2 | | SMILES: | CCCCN2C(=O)/C(=Cc1ccc(cc1)O)SC2=S | | InChi: | InChI=1S/C14H15NO2S2/c1-2-3-8-15-13(17)12(19-14(15)18)9-10-4-6-11(16)7-5-10/h4-7,9,16H,2-3,8H2,1H3/b12-9+ | | Definition date: | 2017-08-25 | | Last modified: | 2018-03-02 | | Release date: | 2018-03-07 | | Identifier: | (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
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 | | EYP | | Name: | 3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid | | Formula: | C14 H12 N2 O4 S2 | | SMILES: | OC(CCc3sc2c(cc1c(sc(CCC(O)=O)n1)c2)n3)=O | | InChi: | InChI=1S/C14H12N2O4S2/c17-13(18)3-1-11-15-7-5-8-10(6-9(7)21-11)22-12(16-8)2-4-14(19)20/h5-6H,1-4H2,(H,17,18)(H,19,20) | | Definition date: | 2018-02-12 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | 3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid |
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 | | C3V | | Name: | 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one | | Formula: | C22 H20 F2 N4 O S | | SMILES: | c1(cn(C)nc1)c2cc3CCCN(c3cc2C(F)F)c4cc5c(cc4)SC(N5C)=O | | InChi: | InChI=1S/C22H20F2N4OS/c1-26-12-14(11-25-26)16-8-13-4-3-7-28(18(13)10-17(16)21(23)24)15-5-6-20-19(9-15)27(2)22(29)30-20/h5-6,8-12,21H,3-4,7H2,1-2H3 | | Definition date: | 2017-09-11 | | Last modified: | 2018-02-16 | | Release date: | 2018-02-21 | | Identifier: | 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one |
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 | | DKM | | Name: | 5-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-6-fluoro-4-methyl-8-oxo-3,4-dihydro-8H-1-thia-4,9b-diazacyclopenta[cd]phenalene-9-carboxylic acid | | Formula: | C20 H21 F N4 O4 S | | SMILES: | N5(c1c4c2N3C(=C(C(=O)c2cc1F)C(=O)O)SC=C3CN4C)CC(O)C(C5)N(C)C | | InChi: | InChI=1S/C20H21FN4O4S/c1-22(2)12-6-24(7-13(12)26)16-11(21)4-10-15-17(16)23(3)5-9-8-30-19(25(9)15)14(18(10)27)20(28)29/h4,8,12-13,26H,5-7H2,1-3H3,(H,28,29)/t12-,13-/m0/s1 | | Definition date: | 2017-10-30 | | Last modified: | 2018-02-16 | | Release date: | 2018-02-21 | | Identifier: | 5-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-6-fluoro-4-methyl-8-oxo-3,4-dihydro-8H-1-thia-4,9b-diazacyclopenta[cd]phenalene-9-carboxylic acid |
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 | | 9VZ | | Name: | ethyl (6~{R})-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate | | Formula: | C11 H15 N O2 S | | SMILES: | CCOC(=O)[CH]1CCc2nc(C)sc2C1 | | InChi: | InChI=1S/C11H15NO2S/c1-3-14-11(13)8-4-5-9-10(6-8)15-7(2)12-9/h8H,3-6H2,1-2H3/t8-/m1/s1 | | Definition date: | 2017-07-19 | | Last modified: | 2018-02-09 | | Release date: | 2018-02-14 | | Identifier: | ethyl (6~{R})-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate |
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 | | SFL | | Name: | Scandium Tetrafluoride | | Formula: | F4 Sc | | SMILES: | F[Sc-](F)(F)F | | InChi: | InChI=1S/4FH.Sc/h4*1H | | Definition date: | 2013-01-03 | | Last modified: | 2018-02-05 | | Release date: | 2014-01-15 | | Identifier: | tetrafluoroscandate(1-) |
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 | | XGH | | Name: | 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide | | Formula: | C23 H23 F7 N2 O5 S2 | | SMILES: | FC(F)(F)C(c1ccc2c(c1)SC(CN2S(=O)(=O)c3ccc(cc3)F)CC(NCC(C)(C)O)=O)(O)C(F)(F)F | | InChi: | InChI=1S/C23H23F7N2O5S2/c1-20(2,34)12-31-19(33)10-15-11-32(39(36,37)16-6-4-14(24)5-7-16)17-8-3-13(9-18(17)38-15)21(35,22(25,26)27)23(28,29)30/h3-9,15,34-35H,10-12H2,1-2H3,(H,31,33)/t15-/m0/s1 | | Definition date: | 2017-11-17 | | Last modified: | 2017-12-15 | | Release date: | 2017-12-20 | | Identifier: | 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide |
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 | | 7YU | | Name: | (+)-Yatakemycin | | Formula: | C35 H29 N5 O8 S | | SMILES: | COc1cc2[nH]c(cc2cc1O)C(=O)N3C[CH]4C[C]45C3=CC(=O)c6[nH]c(cc56)C(=O)N7CCc8c9cc([nH]c9c(OC)c(O)c78)C(=O)SC | | InChi: | InChI=1S/C35H29N5O8S/c1-47-25-10-19-14(7-23(25)41)6-20(36-19)33(45)40-13-15-12-35(15)18-9-21(37-28(18)24(42)11-26(35)40)32(44)39-5-4-16-17-8-22(34(46)49-3)38-27(17)31(48-2)30(43)29(16)39/h6-11,15,36-38,41,43H,4-5,12-13H2,1-3H3/t15-,35-/m1/s1 | | Definition date: | 2017-02-21 | | Last modified: | 2017-12-01 | | Release date: | 2017-12-06 |
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 | | 8AY | | Name: | 3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanine | | Formula: | C13 H16 N2 O2 S | | SMILES: | C(C)(C)c2cc1c(nc(s1)CC(N)C(=O)O)cc2 | | InChi: | InChI=1S/C13H16N2O2S/c1-7(2)8-3-4-10-11(5-8)18-12(15-10)6-9(14)13(16)17/h3-5,7,9H,6,14H2,1-2H3,(H,16,17)/t9-/m0/s1 | | Definition date: | 2017-01-17 | | Last modified: | 2017-10-27 | | Release date: | 2017-11-01 | | Identifier: | 3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanine |
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 | | A65 | | Name: | [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]methanol | | Formula: | C6 H9 N O S3 | | SMILES: | CSc1snc(SC)c1CO | | InChi: | InChI=1S/C6H9NOS3/c1-9-5-4(3-8)6(10-2)11-7-5/h8H,3H2,1-2H3 | | Definition date: | 2017-08-16 | | Last modified: | 2017-10-27 | | Release date: | 2017-11-01 | | Identifier: | [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]methanol |
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 | | A7H | | Name: | 6-ethoxy-2-methyl-1,3-benzothiazole | | Formula: | C10 H11 N O S | | SMILES: | CCOc1ccc2nc(C)sc2c1 | | InChi: | InChI=1S/C10H11NOS/c1-3-12-8-4-5-9-10(6-8)13-7(2)11-9/h4-6H,3H2,1-2H3 | | Definition date: | 2017-08-16 | | Last modified: | 2017-10-27 | | Release date: | 2017-11-01 | | Identifier: | 6-ethoxy-2-methyl-1,3-benzothiazole |
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 | | 7O7 | | Name: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate | | Formula: | C33 H42 N4 O7 S2 | | SMILES: | c2(nc1ccc(cc1s2)S(N(CC(C)C)CC(C(Cc3ccccc3)NC(=O)OC5C6COC4C6CC5CO4)O)(=O)=O)NC7CC7 | | InChi: | InChI=1S/C33H42N4O7S2/c1-19(2)15-37(46(40,41)23-10-11-26-29(14-23)45-32(35-26)34-22-8-9-22)16-28(38)27(12-20-6-4-3-5-7-20)36-33(39)44-30-21-13-24-25(30)18-43-31(24)42-17-21/h3-7,10-11,14,19,21-22,24-25,27-28,30-31,38H,8-9,12-13,15-18H2,1-2H3,(H,34,35)(H,36,39)/t21-,24-,25-,27+,28-,30+,31+/m1/s1 | | Definition date: | 2016-11-21 | | Last modified: | 2017-10-13 | | Release date: | 2017-10-18 | | Identifier: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate |
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 | | 7OA | | Name: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate | | Formula: | C33 H40 F2 N4 O7 S2 | | SMILES: | c1c(cc(cc1F)F)CC(C(CN(CC(C)C)S(c2ccc3c(c2)sc(n3)NC4CC4)(=O)=O)O)NC(=O)OC5C7COC6C7CC5CO6 | | InChi: | InChI=1S/C33H40F2N4O7S2/c1-17(2)13-39(48(42,43)23-5-6-26-29(12-23)47-32(37-26)36-22-3-4-22)14-28(40)27(9-18-7-20(34)11-21(35)8-18)38-33(41)46-30-19-10-24-25(30)16-45-31(24)44-15-19/h5-8,11-12,17,19,22,24-25,27-28,30-31,40H,3-4,9-10,13-16H2,1-2H3,(H,36,37)(H,38,41)/t19-,24-,25-,27+,28-,30+,31+/m1/s1 | | Definition date: | 2016-11-21 | | Last modified: | 2017-10-13 | | Release date: | 2017-10-18 | | Identifier: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate |
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 | | 7BV | | Name: | (4S)-2-[6-(azepan-1-yl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid | | Formula: | C17 H19 N3 O2 S2 | | SMILES: | OC(=O)[CH]1CSC(=N1)c2sc3cc(ccc3n2)N4CCCCCC4 | | InChi: | InChI=1S/C17H19N3O2S2/c21-17(22)13-10-23-15(19-13)16-18-12-6-5-11(9-14(12)24-16)20-7-3-1-2-4-8-20/h5-6,9,13H,1-4,7-8,10H2,(H,21,22)/t13-/m1/s1 | | Definition date: | 2016-09-30 | | Last modified: | 2017-09-22 | | Release date: | 2017-09-27 | | Identifier: | (4~{S})-2-[6-(azepan-1-yl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
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 | | 7P7 | | Name: | N-[6-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)hexyl]-2-(4-{2-[N-(1,1-dioxo-1lambda~6~-thian-4-yl)carbamimidoyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]pyridin-7-yl}-2-methoxyphenoxy)acetamide | | Formula: | C42 H46 N6 O11 S2 | | SMILES: | c57c(C(c1ccc(c(c1)OC)OCC(NCCCCCCOc2c4c(ccc2)C(N(C3CCC(=O)NC3=O)C4=O)=O)=O)=CN(C5=O)C)sc(C(=N)NC6CCS(=O)(=O)CC6)c7 | | InChi: | InChI=1S/C42H46N6O11S2/c1-47-22-28(37-27(40(47)52)21-33(60-37)38(43)45-25-14-18-61(55,56)19-15-25)24-10-12-30(32(20-24)57-2)59-23-35(50)44-16-5-3-4-6-17-58-31-9-7-8-26-36(31)42(54)48(41(26)53)29-11-13-34(49)46-39(29)51/h7-10,12,20-22,25,29H,3-6,11,13-19,23H2,1-2H3,(H2,43,45)(H,44,50)(H,46,49,51)/t29-/m0/s1 | | Definition date: | 2016-11-28 | | Last modified: | 2017-09-22 | | Release date: | 2017-09-27 | | Identifier: | N-[6-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)hexyl]-2-(4-{2-[N-(1,1-dioxo-1lambda~6~-thian-4-yl)carbamimidoyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]pyridin-7-yl}-2-methoxyphenoxy)acetamide |
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 | | 7L3 | | Name: | (5Z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide | | Formula: | C13 H18 N4 O4 S3 | | SMILES: | CC(C)(c1ccc(cc1)S(=O)(=O)N=C2/SC(S(=O)(N)=O)=NN2C)C | | InChi: | InChI=1S/C13H18N4O4S3/c1-13(2,3)9-5-7-10(8-6-9)24(20,21)16-11-17(4)15-12(22-11)23(14,18)19/h5-8H,1-4H3,(H2,14,18,19)/b16-11- | | Definition date: | 2016-11-08 | | Last modified: | 2017-09-15 | | Release date: | 2017-09-20 | | Identifier: | (5Z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide |
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 | | 5XQ | | Name: | ~{N}-[5-[2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide | | Formula: | C16 H16 N4 O2 S2 | | SMILES: | COc1ccccc1Nc2scc(n2)c3sc(NC(C)=O)nc3C | | InChi: | InChI=1S/C16H16N4O2S2/c1-9-14(24-16(17-9)18-10(2)21)12-8-23-15(20-12)19-11-6-4-5-7-13(11)22-3/h4-8H,1-3H3,(H,19,20)(H,17,18,21) | | Definition date: | 2015-12-22 | | Last modified: | 2017-09-08 | | Release date: | 2017-09-13 | | Identifier: | ~{N}-[5-[2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide |
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 | | YTA | | Name: | yatakemycin-adenine nucleobase adduct | | Formula: | C40 H34 N10 O8 S | | SMILES: | N9=CN(CC7CN(C(c1nc2cc(OC)c(cc2c1)O)=O)c6cc(O)c8nc(C(=O)N3c5c(CC3)c4cc(nc4c(c5O)OC)C(=O)SC)cc8c67)C=%10C(=C9N)N=CN=%10 | | InChi: | InChI=1S/C40H34N10O8S/c1-57-28-10-21-16(7-26(28)51)6-22(45-21)39(55)50-13-17(12-48-15-44-36(41)32-37(48)43-14-42-32)29-20-9-23(46-30(20)27(52)11-25(29)50)38(54)49-5-4-18-19-8-24(40(56)59-3)47-31(19)35(58-2)34(53)33(18)49/h6-11,14-15,17,45-47,51-53H,4-5,12-13,41H2,1-3H3/t17-/m1/s1 | | Definition date: | 2017-02-20 | | Last modified: | 2017-07-14 | | Release date: | 2017-07-19 | | Identifier: | S-methyl 6-[(8R)-8-[(6-amino-3H-purin-3-yl)methyl]-4-hydroxy-6-(5-hydroxy-6-methoxy-1H-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl]-5-hydroxy-4-methoxy-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbothioate |
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 | | 8LV | | Name: | 3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid | | Formula: | C23 H24 N4 O4 S | | SMILES: | c1(C(O)=O)cccc(c1)c5oc(CC=3C(N=C4SC(C2CCCCC2)NN4C=3N)=O)cc5 | | InChi: | InChI=1S/C23H24N4O4S/c24-19-17(12-16-9-10-18(31-16)14-7-4-8-15(11-14)22(29)30)20(28)25-23-27(19)26-21(32-23)13-5-2-1-3-6-13/h4,7-11,13,21,26H,1-3,5-6,12,24H2,(H,29,30)/t21-/m1/s1 | | Definition date: | 2017-02-15 | | Last modified: | 2017-07-14 | | Release date: | 2017-07-19 | | Identifier: | 3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid |
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 | | 9W4 | | Name: | 4-[(2,5-dioxo-2,5-dihydro-1H-imidazol-1-yl)methyl]-N-[2-(morpholin-4-yl)-1,3-benzothiazol-6-yl]benzamide | | Formula: | C22 H19 N5 O4 S | | SMILES: | N(C(=O)c1ccc(cc1)CN2C(=O)C=NC2=O)c4ccc3nc(sc3c4)N5CCOCC5 | | InChi: | InChI=1S/C22H19N5O4S/c28-19-12-23-21(30)27(19)13-14-1-3-15(4-2-14)20(29)24-16-5-6-17-18(11-16)32-22(25-17)26-7-9-31-10-8-26/h1-6,11-12H,7-10,13H2,(H,24,29) | | Definition date: | 2017-06-15 | | Last modified: | 2017-06-23 | | Release date: | 2017-06-28 | | Identifier: | 4-[(2,5-dioxo-2,5-dihydro-1H-imidazol-1-yl)methyl]-N-[2-(morpholin-4-yl)-1,3-benzothiazol-6-yl]benzamide |
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 | | QRL | | Name: | S-methyl hexanethioate | | Formula: | C7 H14 O S | | SMILES: | CCCCCC(=O)SC | | InChi: | InChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3 | | Definition date: | 2016-05-26 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | S-methyl hexanethioate |
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 | | 8WM | | Name: | (2S)-2-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide | | Formula: | C21 H23 F N4 O4 S2 | | SMILES: | c1(sc(F)cn1)NC(=O)C(CC2CCOCC2)n3c4c(cn3)c(ccc4)S(=O)(=O)C5CC5 | | InChi: | InChI=1S/C21H23FN4O4S2/c22-19-12-23-21(31-19)25-20(27)17(10-13-6-8-30-9-7-13)26-16-2-1-3-18(15(16)11-24-26)32(28,29)14-4-5-14/h1-3,11-14,17H,4-10H2,(H,23,25,27)/t17-/m0/s1 | | Definition date: | 2017-03-13 | | Last modified: | 2017-05-26 | | Release date: | 2017-05-31 | | Identifier: | (2S)-2-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide |
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 | | 8XW | | Name: | [(2~{R})-1-ethanoylsulfanyl-6-phenyl-hexan-2-yl]phosphonic acid | | Formula: | C14 H21 O4 P S | | SMILES: | CC(=O)SC[CH](CCCCc1ccccc1)[P](O)(O)=O | | InChi: | InChI=1S/C14H21O4PS/c1-12(15)20-11-14(19(16,17)18)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3,(H2,16,17,18)/t14-/m1/s1 | | Definition date: | 2017-03-22 | | Last modified: | 2017-04-21 | | Release date: | 2017-04-26 | | Identifier: | [(2~{R})-1-ethanoylsulfanyl-6-phenyl-hexan-2-yl]phosphonic acid |
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