| JB7 | Name: | N-({(1S)-5-[acetyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-L-glutamic acid | Formula: | C21 H28 Br N3 O8 | SMILES: | Brc1ccc(cc1)CN(C(=O)C)CCCCC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O | InChi: | InChI=1S/C21H28BrN3O8/c1-13(26)25(12-14-5-7-15(22)8-6-14)11-3-2-4-16(19(29)30)23-21(33)24-17(20(31)32)9-10-18(27)28/h5-8,16-17H,2-4,9-12H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H2,23,24,33)/t16-,17-/m0/s1 | Synonyms: | (S)-2-(3-((S)-5-(N-(4-bromobenzyl)acetamido)-1-carboxypentyl)ureido)pentanedioic acid | Definition date: | 2013-11-21 | Last modified: | 2021-03-01 | Release date: | 2014-06-18 | Identifier: | N-({(1S)-5-[acetyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-L-glutamic acid |
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| 0HG | Name: | N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-(4-bromobenzyl)-L-cysteinylglycine | Formula: | C17 H23 Br N3 O6 S | SMILES: | Brc1ccc(cc1)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)[NH3+] | InChi: | InChI=1S/C17H22BrN3O6S/c18-11-3-1-10(2-4-11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)6-5-12(19)17(26)27/h1-4,12-13H,5-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/p+1/t12-,13-/m0/s1 | Synonyms: | S-(p-bromobenzyl)-glutathione | Definition date: | 2008-09-14 | Last modified: | 2021-03-01 | Identifier: | N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-(4-bromobenzyl)-L-cysteinylglycine |
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| JB9 | Name: | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-[[1-[[3-[(~{Z})-3-[bis(azanyl)methylideneamino]prop-1-enyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-prop-2-enoxy-oxan-3-yl]ethanamide | Formula: | C31 H45 N7 O11 | SMILES: | CC(=O)N[CH]1[CH](O)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OCc3cn(Cc4cccc(C=CCN=C(N)N)c4)nn3)[CH]2O)[CH](CO)O[CH]1OCC=C | InChi: | InChI=1S/C31H45N7O11/c1-3-10-45-29-23(35-17(2)41)25(43)27(22(15-40)48-29)49-30-26(44)28(24(42)21(14-39)47-30)46-16-20-13-38(37-36-20)12-19-7-4-6-18(11-19)8-5-9-34-31(32)33/h3-8,11,13,21-30,39-40,42-44H,1,9-10,12,14-16H2,2H3,(H,35,41)(H4,32,33,34)/b8-5-/t21-,22-,23-,24+,25-,26-,27-,28+,29-,30+/m1/s1 | Synonyms: | JB97 | Definition date: | 2017-01-19 | Last modified: | 2021-03-01 | Release date: | 2018-02-14 | Identifier: | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-[[1-[[3-[(~{Z})-3-[bis(azanyl)methylideneamino]prop-1-enyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-prop-2-enoxy-oxan-3-yl]ethanamide |
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| 0HK | Name: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane | Formula: | C19 H22 N O4 S2 | SMILES: | O=C(OC3CC1[N+](C)(C)C(C2OC12)C3)C(O)(c4sccc4)c5sccc5 | InChi: | InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ | Synonyms: | Tiotropium | Definition date: | 2012-01-18 | Last modified: | 2021-03-01 | Identifier: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane |
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| LCL | Name: | 2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide | Formula: | C11 H12 Cl2 N2 O5 | SMILES: | O=[N+]([O-])c1ccc(cc1)C(O)C(NC(=O)C(Cl)Cl)CO | InChi: | InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m0/s1 | Synonyms: | L-Chloramphenicol | Definition date: | 2012-08-16 | Last modified: | 2021-03-01 | Release date: | 2013-05-08 | Identifier: | 2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide |
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| LCM | Name: | N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide) | Formula: | C18 H20 N2 O6 | SMILES: | O=C(c1cccc(O)c1O)NCCCCNC(=O)c2cccc(O)c2O | InChi: | InChI=1S/C18H20N2O6/c21-13-7-3-5-11(15(13)23)17(25)19-9-1-2-10-20-18(26)12-6-4-8-14(22)16(12)24/h3-8,21-24H,1-2,9-10H2,(H,19,25)(H,20,26) | Synonyms: | 4-LICAM | Definition date: | 2013-01-22 | Last modified: | 2021-03-01 | Release date: | 2013-04-03 | Identifier: | N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide) |
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| 0IV | Name: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide | Formula: | C23 H34 N6 O5 S | SMILES: | O=C(NC(C=O)CC1CCCN(C(=[N@H])N)C1)CN3C(=O)C(NS(=O)(=O)Cc2ccccc2)CCC3 | InChi: | InChI=1S/C23H34N6O5S/c24-23(25)29-11-4-8-18(13-29)12-19(15-30)26-21(31)14-28-10-5-9-20(22(28)32)27-35(33,34)16-17-6-2-1-3-7-17/h1-3,6-7,15,18-20,27H,4-5,8-14,16H2,(H3,24,25)(H,26,31)/t18-,19+,20+/m1/s1 | Synonyms: | CVS1694 | Definition date: | 2008-11-06 | Last modified: | 2021-03-01 | Identifier: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide |
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| LDE | Name: | (2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid | Formula: | C11 H22 N O6 P | SMILES: | O=P(O)(CC(C(=O)O)CCC(=O)O)C(N)CC(C)C | InChi: | InChI=1S/C11H22NO6P/c1-7(2)5-9(12)19(17,18)6-8(11(15)16)3-4-10(13)14/h7-9H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t8-,9+/m0/s1 | Synonyms: | L-LEU-D-GLU PHOSPHINATE PSEUDODIPEPTIDE | Definition date: | 2011-05-18 | Last modified: | 2021-03-01 | Identifier: | (2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid |
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| LDT | Name: | IDD594 | Formula: | C16 H12 Br F2 N O3 S | SMILES: | Brc1cc(F)c(cc1)CNC(=S)c2ccc(F)cc2OCC(=O)O | InChi: | InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22) | Synonyms: | [2-(4-BROMO-2-FLUORO-BENZYLTHIOCARBAMOYL)-5-FLUORO-PHENOXY]-ACETIC ACID | Definition date: | 2003-11-16 | Last modified: | 2021-03-01 | Identifier: | {2-[(4-bromo-2-fluorobenzyl)carbamothioyl]-5-fluorophenoxy}acetic acid |
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| 0K7 | Name: | 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid | Formula: | C11 H9 N O2 S | SMILES: | O=C(O)c1nc(sc1)c2ccc(cc2)C | InChi: | InChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14) | Synonyms: | MO07123 | Definition date: | 2012-01-30 | Last modified: | 2021-03-01 | Release date: | 2012-12-07 | Identifier: | 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid |
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| LFA | Name: | EICOSANE | Formula: | C20 H42 | SMILES: | C(CCCCCCCCCCCCCCCCC)CC | InChi: | InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3 | Synonyms: | LIPID FRAGMENT | Definition date: | 2003-11-19 | Last modified: | 2021-03-01 | Identifier: | icosane |
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| 0KV | Name: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide | Formula: | C23 H34 N6 O5 S | SMILES: | O=C(NC(C=O)CC1CCCN(C(=[N@H])N)C1)CN3C(=O)C(NS(=O)(=O)Cc2ccccc2)CCC3 | InChi: | InChI=1S/C23H34N6O5S/c24-23(25)29-11-4-8-18(13-29)12-19(15-30)26-21(31)14-28-10-5-9-20(22(28)32)27-35(33,34)16-17-6-2-1-3-7-17/h1-3,6-7,15,18-20,27H,4-5,8-14,16H2,(H3,24,25)(H,26,31)/t18-,19-,20-/m0/s1 | Synonyms: | CVS1695 | Definition date: | 2010-06-25 | Last modified: | 2021-03-01 | Identifier: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide |
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| JEV | Name: | N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide | Formula: | C16 H21 N O2 | SMILES: | C(NC(CC)=O)CC3CCc2ccc1OCCc1c23 | InChi: | InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1 | Synonyms: | Ramelteon | Definition date: | 2018-09-06 | Last modified: | 2021-03-01 | Release date: | 2019-04-24 | Identifier: | N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide |
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| LFX | Name: | (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid | Formula: | C18 H20 F N3 O4 | SMILES: | O=C(O)C=1C(=O)c4c2N(C=1)C(COc2c(N3CCN(C)CC3)c(F)c4)C | InChi: | InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1 | Synonyms: | Levofloxacin | Definition date: | 2009-10-20 | Last modified: | 2021-03-01 | Identifier: | (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid |
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| LG5 | Name: | 1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE | Formula: | C6 H10 N2 | SMILES: | NC=1C=CCN(C=1)C | InChi: | InChI=1S/C6H10N2/c1-8-4-2-3-6(7)5-8/h2-3,5H,4,7H2,1H3 | Synonyms: | 1-METHYL-1-LAMBDA-5-PYRIDIN-3-YL-AMINE | Definition date: | 2005-11-10 | Last modified: | 2021-03-01 | Identifier: | 1-methyl-1,6-dihydropyridin-3-amine |
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| LG9 | Name: | (1R,2R,3R,6R,7R,7AR)-3,7-BIS(HYDROXYMETHYL)HEXAHYDRO-1H-PYRROLIZINE-1,2,6-TRIOL | Formula: | C9 H17 N O5 | SMILES: | OC2C(C1N(C(C(O)C1O)CO)C2)CO | InChi: | InChI=1S/C9H17NO5/c11-2-4-6(13)1-10-5(3-12)8(14)9(15)7(4)10/h4-9,11-15H,1-3H2/t4-,5-,6+,7-,8-,9-/m1/s1 | Synonyms: | CASUARINE ANALOGUE | Definition date: | 2009-11-17 | Last modified: | 2021-03-01 | Identifier: | (1R,2R,3R,6R,7R,7aR)-3,7-bis(hydroxymethyl)hexahydro-1H-pyrrolizine-1,2,6-triol |
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| LGN | Name: | N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide | Formula: | C62 H117 N O18 | SMILES: | O=C(NC(COC3OC(C(OC2OC(CO)C(O)C(OC1OC(CO)C(O)C(O)C1O)C2O)C(O)C3O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C62H117NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)44-76-60-56(74)54(72)58(49(43-66)79-60)80-62-57(75)59(52(70)48(42-65)78-62)81-61-55(73)53(71)51(69)47(41-64)77-61/h37,39,45-49,51-62,64-67,69-75H,3-36,38,40-44H2,1-2H3,(H,63,68)/b39-37+/t45-,46+,47+,48+,49+,51-,52-,53-,54+,55+,56+,57+,58+,59-,60+,61+,62-/m0/s1 | Synonyms: | Isoglobotrihexosylceramide | Definition date: | 2011-05-13 | Last modified: | 2021-03-01 | Identifier: | N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide |
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| LHP | Name: | (3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid | Formula: | C27 H44 O4 | SMILES: | O=C(O)CCC(C4C3(C(C2C(C1(CCC(OC(=O)CC)CC1CC2)C)CC3)CC4)C)C | InChi: | InChI=1S/C27H44O4/c1-5-25(30)31-19-12-14-26(3)18(16-19)7-8-20-22-10-9-21(17(2)6-11-24(28)29)27(22,4)15-13-23(20)26/h17-23H,5-16H2,1-4H3,(H,28,29)/t17-,18-,19-,20+,21-,22+,23+,26+,27-/m1/s1 | Synonyms: | Lithocholic acid propionate | Definition date: | 2013-02-08 | Last modified: | 2021-03-01 | Release date: | 2013-06-26 | Identifier: | (3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid |
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| LHZ | Name: | (6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one | Formula: | C24 H24 F2 N8 O2 | SMILES: | COC[CH]1Cn2cc(nc2C(=O)N1Cc3ccc(F)c(F)c3)c4nc(Nc5ccnn5C)ncc4C | InChi: | InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1 | Synonyms: | AZD0364 | Definition date: | 2019-08-19 | Last modified: | 2021-03-01 | Release date: | 2019-11-20 | Identifier: | (6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one |
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| LI1 | Name: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL | Formula: | C42 H86 O3 | SMILES: | OCC(OCCC(CCCC(CCCCCCCC(C)C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C | InChi: | InChI=1S/C42H86O3/c1-35(2)19-13-11-10-12-14-21-37(5)23-17-28-41(9)30-32-45-42(33-43)34-44-31-29-40(8)27-18-26-39(7)25-16-24-38(6)22-15-20-36(3)4/h35-43H,10-34H2,1-9H3/t37-,38+,39?,40+,41-,42-/m1/s1 | Synonyms: | LIPID FRAGMENT | Definition date: | 1999-09-16 | Last modified: | 2021-03-01 | Identifier: | (2R)-3-{[(3S,7R,11S)-3,7,11,15-tetramethylhexadecyl]oxy}-2-{[(3R,7R)-3,7,15-trimethylhexadecyl]oxy}propan-1-ol |
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| 0NQ | Name: | N-{(1S)-3-[(5S)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide | Formula: | C24 H37 N4 O6 P S | SMILES: | O=S(=O)(Nc1ccc2c(c1)P(=O)(N=C(N2)C3=C(O)C(N(C3=O)CCC(C)(C)C)C(C)(C)C)OCC)C | InChi: | InChI=1S/C24H37N4O6PS/c1-9-34-35(31)17-14-15(27-36(8,32)33)10-11-16(17)25-21(26-35)18-19(29)20(24(5,6)7)28(22(18)30)13-12-23(2,3)4/h10-11,14,20,27,29H,9,12-13H2,1-8H3,(H,25,26,31)/t20-,35+/m1/s1 | Synonyms: | IDX375 | Definition date: | 2012-03-23 | Last modified: | 2021-03-01 | Release date: | 2013-03-27 | Identifier: | N-{(1S)-3-[(5S)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide |
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| LIH | Name: | 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE | Formula: | C18 H17 N7 | SMILES: | n1cc(c(c2c1nc(nc2N)N)C)CNc4c3cccnc3ccc4 | InChi: | InChI=1S/C18H17N7/c1-10-11(9-23-17-15(10)16(19)24-18(20)25-17)8-22-14-6-2-5-13-12(14)4-3-7-21-13/h2-7,9,22H,8H2,1H3,(H4,19,20,23,24,25) | Synonyms: | SRI-9439 | Definition date: | 2002-01-07 | Last modified: | 2021-03-01 | Identifier: | 5-methyl-6-[(quinolin-5-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine |
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| LII | Name: | (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE | Formula: | C18 H19 N5 O2 | SMILES: | n1cc(c(c2c1nc(nc2N)N)C)/C=Cc3cc(OC)ccc3OC | InChi: | InChI=1S/C18H19N5O2/c1-10-12(9-21-17-15(10)16(19)22-18(20)23-17)5-4-11-8-13(24-2)6-7-14(11)25-3/h4-9H,1-3H3,(H4,19,20,21,22,23)/b5-4- | Synonyms: | SRI-9662 | Definition date: | 2002-01-07 | Last modified: | 2021-03-01 | Identifier: | 6-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine |
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| 0OD | Name: | trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+) | Formula: | C21 H32 Cl3 N3 O2 Rh S | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)NCCc37c4(C)c5(C)c6(C)C3(C)[Rh+]4567(Cl)(Cl)Cl | InChi: | InChI=1S/C21H32N3O2S.3ClH.Rh/c1-12-13(2)15(4)16(14(12)3)9-10-22-19(25)8-6-5-7-18-20-17(11-27-18)23-21(26)24-20 | Synonyms: | [Cp*(Biot-methylene)RhCl(H2O)2]+ | Definition date: | 2012-08-21 | Last modified: | 2021-03-01 | Release date: | 2013-02-08 | Identifier: | trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+) |
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| 0OM | Name: | benzyl pyridine-3-carboxylate | Formula: | C13 H11 N O2 | SMILES: | O=C(OCc1ccccc1)c2cccnc2 | InChi: | InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2 | Synonyms: | Benzyl nicotinate | Definition date: | 2012-04-03 | Last modified: | 2021-03-01 | Release date: | 2012-11-30 | Identifier: | benzyl pyridine-3-carboxylate |
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