 | | XX6 | | Name: | 2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL | | Formula: | C20 H23 N O4 | | SMILES: | OCC(NCC(O)COc2cc3c(c1c2cccc1)cccc3)CO | | InChi: | InChI=1S/C20H23NO4/c22-11-15(12-23)21-10-16(24)13-25-20-9-14-5-1-2-6-17(14)18-7-3-4-8-19(18)20/h1-9,15-16,21-24H,10-13H2/t16-/m1/s1 | | Synonyms: | (R)-DIHYDROXY-PHENANTHRENOLOL | | Definition date: | 2007-06-19 | | Last modified: | 2021-03-01 | | Identifier: | 2-{[(2R)-2-hydroxy-3-(phenanthren-9-yloxy)propyl]amino}propane-1,3-diol |
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 | | NPX | | Name: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid | | Formula: | C14 H14 O3 | | SMILES: | O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C | | InChi: | InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1 | | Synonyms: | (R)-Naproxen | | Definition date: | 2007-10-04 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid |
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 | | 39W | | Name: | (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide | | Formula: | C37 H45 F N6 O7 S2 | | SMILES: | O=S(=O)(NC(=O)C12NC(=O)N6C(C(=O)N(C)CCCCC=CC2C1)CC(Oc4cc(nc3c(F)c(OC)ccc34)c5nc(cs5)C(C)C)C6)C7(C)CC7 | | InChi: | InChI=1S/C37H45FN6O7S2/c1-21(2)26-20-52-32(40-26)25-17-29(24-11-12-28(50-5)30(38)31(24)39-25)51-23-16-27-33(45)43(4)15-9-7-6-8-10-22-18-37(22,41-35(47)44(27)19-23)34(46)42-53(48,49)36(3)13-14-36/h8,10-12,17,20-23,27H,6-7,9,13-16,18-19H2,1-5H3,(H,41,47)(H,42,46)/b10-8-/t22-,23+,27+,37-/m1/s1 | | Synonyms: | IDX320 | | Definition date: | 2014-07-14 | | Last modified: | 2021-03-01 | | Release date: | 2015-07-29 | | Identifier: | (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide |
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 | | ZPC | | Name: | (5R)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate | | Formula: | C17 H17 Cl N6 O3 | | SMILES: | O=C(OC3c1nccnc1C(=O)N3c2ncc(Cl)cc2)N4CCN(C)CC4 | | InChi: | InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m1/s1 | | Synonyms: | R-ZOPICLONE | | Definition date: | 2011-11-25 | | Last modified: | 2021-03-01 | | Release date: | 2012-10-12 | | Identifier: | (5R)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate |
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 | | MYQ | | Name: | (S)-(1,2-DICARBOXYETHYLTHIO)GOLD | | Formula: | C4 H5 Au O4 S | | SMILES: | O=C(O)CC(S[Au])C(=O)O | | InChi: | InChI=1S/C4H6O4S.Au/c5-3(6)1-2(9)4(7)8 | | Synonyms: | MYOCRISIN | | Definition date: | 2005-09-07 | | Last modified: | 2021-03-01 | | Identifier: | gold(1+) (1S)-1,2-dicarboxyethanethiolate |
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 | | PSI | | Name: | methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate | | Formula: | C29 H47 N5 O7 | | SMILES: | O=C(OC)C(NC(=O)C(NC(=O)CCC(O)C(NC(=O)C(NC(=O)C(N)C)C)Cc1ccccc1)C(C)C)C(C)C | | InChi: | InChI=1S/C29H47N5O7/c1-16(2)24(28(39)34-25(17(3)4)29(40)41-7)33-23(36)14-13-22(35)21(15-20-11-9-8-10-12-20)32-27(38)19(6)31-26(37)18(5)30/h8-12,16-19,21-22,24-25,35H,13-15,30H2,1-7H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)/t18-,19-,21-,22-,24-,25-/m0/s1 | | Synonyms: | SKF 107457 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate |
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 | | R21 | | Name: | 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide | | Formula: | C16 H17 Cl N2 O4 S | | SMILES: | Clc1cc(ccc1O)CC(=O)NCCc2ccc(cc2)S(=O)(=O)N | | InChi: | InChI=1S/C16H17ClN2O4S/c17-14-9-12(3-6-15(14)20)10-16(21)19-8-7-11-1-4-13(5-2-11)24(18,22)23/h1-6,9,20H,7-8,10H2,(H,19,21)(H2,18,22,23) | | Synonyms: | 2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylphenethyl)acetamide | | Definition date: | 2010-06-14 | | Last modified: | 2021-03-01 | | Identifier: | 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
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 | | ZPH | | Name: | methyl (2S)-2-{[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate | | Formula: | C15 H24 N O5 P | | SMILES: | O=C(OC)C(OP(=O)(O)C(N)CC(C)C)Cc1ccccc1 | | InChi: | InChI=1S/C15H24NO5P/c1-11(2)9-14(16)22(18,19)21-13(15(17)20-3)10-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10,16H2,1-3H3,(H,18,19)/t13-,14+/m0/s1 | | Synonyms: | LP(0)PHEOMe | | Definition date: | 2010-10-22 | | Last modified: | 2021-03-01 | | Identifier: | methyl (2S)-2-{[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate |
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 | | WPC | | Name: | [29H,31H-phthalocyaninato(2-)-kappa~4~N~29~,N~30~,N~31~,N~32~]iron | | Formula: | C32 H16 Fe N8 | | SMILES: | N1=C5c%12c(C=4N=C8c%11ccccc%11C7=NC%10=[N+]6C(=Nc3n(c1c2ccccc23)[Fe]6([N+]=45)N78)c9ccccc9%10)cccc%12 | | InChi: | InChI=1S/C32H16N8.Fe/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25 | | Synonyms: | Phthalocyanine containing Fe | | Definition date: | 2013-03-27 | | Last modified: | 2021-03-01 | | Release date: | 2014-01-29 | | Identifier: | [29H,31H-phthalocyaninato(2-)-kappa~4~N~29~,N~30~,N~31~,N~32~]iron(2+) |
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 | | R27 | | Name: | N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide | | Formula: | C46 H73 N3 O12 | | SMILES: | C4C(C=C(/C)C3C(C)C(CC(=NNC(=O)C)C(C=C(CC(C)CC(OC)C1C(OC)CC(C(O1)(O)C(C(N2C(CCCC2)C(O3)=O)=O)=O)C)C)C[C@H]=C)O)CCC(C4OC)O | | InChi: | InChI=1S/C46H73N3O12/c1-11-14-33-20-26(2)19-27(3)21-39(58-9)42-40(59-10)23-29(5)46(56,61-42)43(53)44(54)49-18-13-12-15-35(49)45(55)60-41(30(6)37(52)25-34(33)48-47-31(7)50)28(4)22-32-16-17-36(51)38(24-32)57-8/h11,20,22,27,29-30,32-33,35-42,51-52,56H,1,12-19,21,23-25H2,2-10H3,(H,47,50)/b26-20+,28-22+,48-34-/t27-,29+,30+,32-,33+,35-,36+,37-,38+,39-,40-,41+,42+,46+/m0/s1 | | Synonyms: | APX879 | | Definition date: | 2020-01-23 | | Last modified: | 2021-03-01 | | Release date: | 2020-12-16 | | Identifier: | N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide |
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 | | TFO | | Name: | [2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACID | | Formula: | C9 H14 N5 O4 P | | SMILES: | O=P(O)(O)COC(C)Cn1c2ncnc(c2nc1)N | | InChi: | InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1 | | Synonyms: | TENOFOVIR | | Definition date: | 2004-04-21 | | Last modified: | 2021-03-01 | | Identifier: | {[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl}phosphonic acid |
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 | | MYZ | | Name: | Myristoleic acid | | Formula: | C14 H26 O2 | | SMILES: | O=C(O)CCCCCCCC=C/CCCC | | InChi: | InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5- | | Synonyms: | Z-tetradec-9-enoic acid | | Definition date: | 2014-09-05 | | Last modified: | 2021-03-01 | | Release date: | 2015-02-25 | | Identifier: | (9Z)-tetradec-9-enoic acid |
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 | | MX7 | | Name: | (2R)-3-(phosphonooxy)propane-1,2-diyl (9Z,9'Z)bis-octadec-9-enoate | | Formula: | C39 H73 O8 P | | SMILES: | O=C(OC(COP(=O)(O)O)COC(=O)CCCCCCCC=C/CCCCCCCC)CCCCCCCC=C/CCCCCCCC | | InChi: | InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44)/b19-17-,20-18-/t37-/m1/s1 | | Synonyms: | dioleoyl-phosphatidic acid | | Definition date: | 2013-09-30 | | Last modified: | 2021-03-01 | | Release date: | 2014-10-01 | | Identifier: | (2R)-3-(phosphonooxy)propane-1,2-diyl (9Z,9'Z)bis-octadec-9-enoate |
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 | | Z70 | | Name: | (2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid | | Formula: | C7 H12 N4 O2 | | SMILES: | O=C(O)C(N)CCc1cnc(N)n1 | | InChi: | InChI=1S/C7H12N4O2/c8-5(6(12)13)2-1-4-3-10-7(9)11-4/h3,5H,1-2,8H2,(H,12,13)(H3,9,10,11)/t5-/m0/s1 | | Synonyms: | 2-aminohomohistidine | | Definition date: | 2010-04-08 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid |
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 | | OMD | | Name: | 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID | | Formula: | C8 H8 O4 | | SMILES: | O=C(O)Cc1cc(O)ccc1O | | InChi: | InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) | | Synonyms: | HOMOGENTISIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2,5-dihydroxyphenyl)acetic acid |
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 | | XIY | | Name: | 2-HYDROXYMETHYL-BENZOIMIDAZOLE | | Formula: | C8 H8 N2 O | | SMILES: | OCc2nc1ccccc1n2 | | InChi: | InChI=1S/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10) | | Synonyms: | 1H-BENZIMIDAZOL-2-YLMETHANOL | | Definition date: | 2010-07-01 | | Last modified: | 2021-03-01 | | Identifier: | 1H-benzimidazol-2-ylmethanol |
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 | | XIZ | | Name: | (E)-PYRIDIN-4-YL-ACRYLIC ACID | | Formula: | C8 H7 N O2 | | SMILES: | O=C(O)C=Cc1ccncc1 | | InChi: | InChI=1S/C8H7NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-6H,(H,10,11)/b2-1+ | | Synonyms: | (2E)-3-PYRIDIN-4-YLPROP-2-ENOIC ACID | | Definition date: | 2010-07-01 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-3-pyridin-4-ylprop-2-enoic acid |
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 | | ATZ | | Name: | 2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO -1,3,5-TRIAZINE | | Formula: | C8 H14 Cl N5 | | SMILES: | Clc1nc(nc(n1)NC(C)C)NCC | | InChi: | InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14) | | Synonyms: | ATRAZINE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine |
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 | | TFX | | Name: | 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium | | Formula: | C17 H19 N2 S | | SMILES: | s2c1cc(ccc1[n+](c2c3ccc(N(C)C)cc3)C)C | | InChi: | InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1 | | Synonyms: | Thioflavin T | | Definition date: | 2010-05-12 | | Last modified: | 2021-03-01 | | Identifier: | 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium |
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 | | MZB | | Name: | (1R,2R,3R,4S,5R)-4-amino-5-[(R)-methylsulfinyl]cyclopentane-1,2,3-triol | | Formula: | C6 H13 N O4 S | | SMILES: | O=S(C1C(O)C(O)C(O)C1N)C | | InChi: | InChI=1S/C6H13NO4S/c1-12(11)6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+,12+/m0/s1 | | Synonyms: | MANNOSTATIN B | | Definition date: | 2008-07-25 | | Last modified: | 2021-03-01 | | Identifier: | (1R,2R,3R,4S,5R)-4-amino-5-[(R)-methylsulfinyl]cyclopentane-1,2,3-triol |
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 | | 3AL | | Name: | 1-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-YL]UREA | | Formula: | C4 H6 N4 O3 | | SMILES: | O=C(NC1C(=O)NC(=O)N1)N | | InChi: | InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)/t1-/m0/s1 | | Synonyms: | (S)-ALLANTOIN | | Definition date: | 2007-06-04 | | Last modified: | 2021-03-01 | | Identifier: | 1-[(4S)-2,5-dioxoimidazolidin-4-yl]urea |
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 | | MXL | | Name: | MOXALACTAM | | Formula: | C20 H20 N6 O9 S | | SMILES: | O=C2N1C(=C(COC1C2(OC)NC(=O)C(c3ccc(O)cc3)C(=O)O)CSc4nnnn4C)C(=O)O | | InChi: | InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12-,18-,20+/m1/s1 | | Synonyms: | 7-((CARBOXY(4-HYDROXYPHENYL)ACETYL)AMINO)-7-METHOXY-(3-((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-5-OXA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID | | Definition date: | 2001-10-30 | | Last modified: | 2021-03-01 | | Identifier: | (6R,7R)-7-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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 | | OMS | | Name: | 1-methylcyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | | Formula: | C38 H50 N6 O9 S | | SMILES: | C1(C(CCCCCC=CC6C(NC(C2N1CC(C2)Oc4nc3c(ccc(c3)OC)nc4C)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C6)NC(=O)OC7(C)CCC7)=O | | InChi: | InChI=1S/C38H50N6O9S/c1-23-32(40-29-19-25(51-4)13-14-27(29)39-23)52-26-20-30-31(45)42-38(34(47)43-54(49,50)37(3)17-18-37)21-24(38)11-8-6-5-7-9-12-28(33(46)44(30)22-26)41-35(48)53-36(2)15-10-16-36/h8,11,13-14,19,24,26,28,30H,5-7,9-10,12,15-18,20-22H2,1-4H3,(H,41,48)(H,42,45)(H,43,47)/b11-8-/t24-,26-,28+,30+,38-/m1/s1 | | Synonyms: | P4-2 (NR02-61) | | Definition date: | 2019-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-04 | | Identifier: | 1-methylcyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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 | | PT7 | | Name: | chloro[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~](triphenyl-lambda~5~-phosphanyl)platinum(2+) | | Formula: | C29 H23 Cl N P Pt | | SMILES: | [Pt+2]2(n1ccccc1c3ccccc23)(Cl)P(c4ccccc4)(c5ccccc5)c6ccccc6 | | InChi: | InChI=1S/C18H15P.C11H8N.ClH.Pt/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18 | | Synonyms: | PtII(2-phenylpyridine)(tri-phenylphosphine)Cl | | Definition date: | 2018-07-18 | | Last modified: | 2021-03-01 | | Release date: | 2018-11-14 | | Identifier: | chloro[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~](triphenyl-lambda~5~-phosphanyl)platinum(2+) |
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 | | OMV | | Name: | 1-ethylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | | Formula: | C40 H54 N6 O9 S | | SMILES: | C4(N1C(CC(C1)Oc3nc2c(ccc(c2)OC)nc3C)C(=O)NC6(C(C=CCCCCCC4NC(=O)OC5(CC)CCCC5)C6)C(NS(C7(CC7)C)(=O)=O)=O)=O | | InChi: | InChI=1S/C40H54N6O9S/c1-5-39(17-11-12-18-39)55-37(50)43-30-14-10-8-6-7-9-13-26-23-40(26,36(49)45-56(51,52)38(3)19-20-38)44-33(47)32-22-28(24-46(32)35(30)48)54-34-25(2)41-29-16-15-27(53-4)21-31(29)42-34/h9,13,15-16,21,26,28,30,32H,5-8,10-12,14,17-20,22-24H2,1-4H3,(H,43,50)(H,44,47)(H,45,49)/b13-9-/t26-,28-,30+,32+,40-/m1/s1 | | Synonyms: | P4-5 (NR01-97) | | Definition date: | 2019-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-04 | | Identifier: | 1-ethylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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