 | | 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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 | | 7CY | | Name: | (1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol | | Formula: | C11 H15 N5 O3 | | SMILES: | n1cnc2c(c1N)ncn2C3C(O)C(C(C3)CO)O | | InChi: | InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1 | | Synonyms: | Aristeromycin | | Definition date: | 2016-10-05 | | Last modified: | 2021-03-01 | | Release date: | 2016-10-19 | | Identifier: | (1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol |
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 | | 7D4 | | Name: | [[(2~{S},3~{R},4~{R})-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Formula: | C10 H16 N5 O12 P3 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH]3CO | | InChi: | InChI=1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6-,10-/m1/s1 | | Synonyms: | oxetanocin A triphosphate | | Definition date: | 2016-10-07 | | Last modified: | 2021-03-01 | | Release date: | 2016-11-16 | | Identifier: | [[(2~{S},3~{R},4~{R})-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | 7D5 | | Name: | [(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl dihydrogen phosphate | | Formula: | C10 H14 N5 O6 P | | SMILES: | c1nc(c2c(n1)n(cn2)C3C(C(COP(O)(=O)O)O3)CO)N | | InChi: | InChI=1S/C10H14N5O6P/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(21-10)2-20-22(17,18)19/h3-6,10,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6-,10-/m1/s1 | | Synonyms: | oxetanocin A monophosphate | | Definition date: | 2016-10-07 | | Last modified: | 2021-03-01 | | Release date: | 2016-11-16 | | Identifier: | [(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl dihydrogen phosphate |
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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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 | | 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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 | | 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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 | | MZM | | Name: | N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide | | Formula: | C5 H8 N4 O3 S2 | | SMILES: | NS(=O)(=O)C=1S/C(N(N=1)C)=NC(=O)C | | InChi: | InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4- | | Synonyms: | Methazolamide | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide |
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 | | N0G | | Name: | 2-{(Z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-N-[(1S)-1-phenylethyl]benzamide | | Formula: | C26 H22 N2 O2 | | SMILES: | N(/c2c(C(=O)NC(c1ccccc1)C)cccc2)=C/c4c3c(cccc3)ccc4O | | InChi: | InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17-/t18-/m0/s1 | | Synonyms: | Sirtinol | | Definition date: | 2019-04-26 | | Last modified: | 2021-03-01 | | Release date: | 2020-06-24 | | Identifier: | 2-{(Z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-N-[(1S)-1-phenylethyl]benzamide |
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 | | 2P0 | | Name: | 1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline | | Formula: | C7 H13 N O10 P2 | | SMILES: | O=C(N1C(C(=O)O)CCC1)COP(=O)(O)OP(=O)(O)O | | InChi: | InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/t5-/m0/s1 | | Synonyms: | diphosphoglycolylproline | | Definition date: | 2011-02-24 | | Last modified: | 2021-03-01 | | Identifier: | 1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline |
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 | | N2O | | Name: | NITROUS OXIDE | | Formula: | N2 O | | SMILES: | [O-][N+]#N | | InChi: | InChI=1S/N2O/c1-2-3 | | Synonyms: | NITROGEN OXIDE | | Definition date: | 2006-09-20 | | Last modified: | 2021-03-01 | | Identifier: | nitrogen oxide |
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 | | N32 | | Name: | 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid | | Formula: | C24 H27 N O6 | | SMILES: | O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC3(C(=O)C=CC42CCC(/C(=C)C2)CC34)C | | InChi: | InChI=1S/C24H27NO6/c1-13-12-24-9-5-14(13)11-17(24)23(2,18(27)6-10-24)8-7-19(28)25-20-16(26)4-3-15(21(20)29)22(30)31/h3-4,6,10,14,17,26,29H,1,5,7-9,11-12H2,2H3,(H,25,28)(H,30,31)/t14-,17-,23-,24+/m0/s1 | | Synonyms: | Platencin | | Definition date: | 2009-06-02 | | Last modified: | 2021-03-01 | | Identifier: | 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid |
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 | | N3C | | Name: | 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE | | Formula: | C42 H45 Cl N6 O5 S2 | | SMILES: | [O-][N+](=O)c2cc(ccc2NC(CCN(C)C)CSc1ccccc1)S(=O)(=O)NC(=O)c6ccc(N5CCN(Cc4c(c3ccc(Cl)cc3)cccc4)CC5)cc6 | | InChi: | InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1 | | Synonyms: | ABT-737 | | Definition date: | 2007-05-01 | | Last modified: | 2021-03-01 | | Identifier: | 4-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide |
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 | | N3E | | Name: | 1-[3-(4-CARBOXYPIPERIDIN-1-YL)-3-DEOXY-BETA-D-ARABINOFURANOSYL]PYRIMIDINE-2,4(1H,3H)-DIONE | | Formula: | C15 H21 N3 O7 | | SMILES: | O=C(O)C3CCN(C2C(OC(N1C(=O)NC(=O)C=C1)C2O)CO)CC3 | | InChi: | InChI=1S/C15H21N3O7/c19-7-9-11(17-4-1-8(2-5-17)14(22)23)12(21)13(25-9)18-6-3-10(20)16-15(18)24/h3,6,8-9,11-13,19,21H,1-2,4-5,7H2,(H,22,23)(H,16,20,24)/t9-,11-,12+,13-/m1/s1 | | Synonyms: | 3-N-PIPERIDINE-4-CARBOXYL-3-DEOXY-ARA-URIDINE | | Definition date: | 2006-03-17 | | Last modified: | 2021-03-01 | | Identifier: | 1-[3-(4-carboxypiperidin-1-yl)-3-deoxy-beta-D-arabinofuranosyl]pyrimidine-2,4(1H,3H)-dione |
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 | | 2R4 | | Name: | 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one | | Formula: | C25 H19 N O3 S | | SMILES: | O=C5c6cccc(c2cccc1c3c(sc12)cccc3)c6OC(N4CCOCC4)=C5 | | InChi: | InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2 | | Synonyms: | NU7441 | | Definition date: | 2014-01-10 | | Last modified: | 2021-03-01 | | Release date: | 2014-03-05 | | Identifier: | 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one |
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 | | 2R9 | | Name: | N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide | | Formula: | C35 H46 Cl N5 O9 S | | SMILES: | O=C(N5C(C(=O)NC2(C(=O)NS(=O)(=O)C1CC1)CC2/C=C)CC(Oc3ncc(OC)c4c3cc(Cl)cc4)C5)C(NC(=O)OC(C)(C)C)C(C)(C)C | | InChi: | InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1 | | Synonyms: | Asunaprevir | | Definition date: | 2014-01-10 | | Last modified: | 2021-03-01 | | Release date: | 2014-03-26 | | Identifier: | N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide |
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 | | 2RC | | Name: | [6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate | | Formula: | C23 H26 F N6 O9 P | | SMILES: | Fc1cnc(nc1Nc2nc3N(C(=O)C(Oc3cc2)(C)C)COP(=O)(O)O)Nc4cc(OC)c(OC)c(OC)c4 | | InChi: | InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29) | | Synonyms: | Fostamatinib | | Definition date: | 2014-01-13 | | Last modified: | 2021-03-01 | | Release date: | 2014-03-05 | | Identifier: | [6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate |
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 | | 2RH | | Name: | (2R)-2-hydroxy-4-methylpentanoic acid | | Formula: | C6 H12 O3 | | SMILES: | O=C(O)C(O)CC(C)C | | InChi: | InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s1 | | Synonyms: | (R)-2-hydroxyisocaproate | | Definition date: | 2010-07-28 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2-hydroxy-4-methylpentanoic acid |
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 | | N4E | | Name: | N-(4-ethoxyphenyl)acetamide | | Formula: | C10 H13 N O2 | | SMILES: | O=C(Nc1ccc(OCC)cc1)C | | InChi: | InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12) | | Synonyms: | phenacetin | | Definition date: | 2008-09-04 | | Last modified: | 2021-03-01 | | Identifier: | N-(4-ethoxyphenyl)acetamide |
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 | | N4M | | Name: | 1-[4-({(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-xylitol | | Formula: | C30 H45 N6 O16 P | | SMILES: | O=C2N=C(N)NC=1NC(C)C(NC=12)C(Nc3ccc(cc3)CC(O)C(O)C(O)COC4OC(C(O)C4O)COP(=O)(OC(C(=O)O)CCC(=O)O)O)C | | InChi: | InChI=1S/C30H45N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12-13,16-19,21,23-25,29,32,34,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H4,31,33,35,36,44)/t12-,13+,16+,17-,18-,19-,21+,23-,24-,25-,29+/m1/s1 | | Synonyms: | Tetrahydromethanopterin | | Definition date: | 2012-09-20 | | Last modified: | 2021-03-01 | | Release date: | 2012-10-26 | | Identifier: | 1-[4-({(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-xylitol |
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 | | 2SA | | Name: | 2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID | | Formula: | C14 H18 N5 O11 P | | SMILES: | O=C(O)CC(C(=O)O)Nc3ncnc1c3ncn1C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5-,6+,9+,10+,13+/m0/s1 | | Synonyms: | ADENYLOSUCCINIC ACID | | Definition date: | 2002-08-14 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-2-[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)amino]butanedioic acid (non-preferred name) |
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 | | RMA | | Name: | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE | | Formula: | C13 H15 N | | SMILES: | C#CCN(C)C2c1ccccc1CC2 | | InChi: | InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1 | | Synonyms: | N-METHYL-N-PROPARGYL-1(R)-AMINOINDAN | | Definition date: | 2004-01-15 | | Last modified: | 2021-03-01 | | Identifier: | (1R)-N-methyl-N-prop-2-yn-1-yl-2,3-dihydro-1H-inden-1-amine |
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 | | 2TA | | Name: | N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide | | Formula: | C27 H36 N6 O3 S | | SMILES: | O=S(=O)(NC(C)(C)C)c1cccc(c1)Nc2nc(ncc2C)Nc4ccc(OCCN3CCCC3)cc4 | | InChi: | InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31) | | Synonyms: | Fedratinib | | Definition date: | 2014-01-28 | | Last modified: | 2021-03-01 | | Release date: | 2014-02-26 | | Identifier: | N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide |
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 | | 2TC | | Name: | (4S,4AS,6S,8AS)-6-[(1S)-7-CHLORO-4-HYDROXY-1-METHYL-3-OXO-1,3-DIHYDRO-2-BENZOFURAN-1-YL]-4-(DIMETHYLAMINO)-3,8A-DIHYDROXY-1,8-DIOXO-1,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALENE-2-CARBONITRILE | | Formula: | C22 H21 Cl N2 O7 | | SMILES: | O=C3CC(C2(OC(=O)c1c(O)ccc(Cl)c12)C)CC4C3(O)C(=O)C(C#N)=C(O)C4N(C)C | | InChi: | InChI=1S/C22H21ClN2O7/c1-21(16-12(23)4-5-13(26)15(16)20(30)32-21)9-6-11-17(25(2)3)18(28)10(8-24)19(29)22(11,31)14(27)7-9/h4-5,9,11,17,26,28,31H,6-7H2,1-3H3/t9-,11-,17-,21-,22-/m0/s1 | | Synonyms: | 7-CHLOR-2-CYANO-ISO-TETRACYCLINE | | Definition date: | 2010-02-18 | | Last modified: | 2021-03-01 | | Identifier: | (4S,4aS,6S,8aS)-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbonitrile |
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 | | RNH | | Name: | (2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide | | Formula: | C16 H32 N2 O4 | | SMILES: | O=C(NCCC(=O)NCCCCCCC)C(O)C(C)(C)CO | | InChi: | InChI=1S/C16H32N2O4/c1-4-5-6-7-8-10-17-13(20)9-11-18-15(22)14(21)16(2,3)12-19/h14,19,21H,4-12H2,1-3H3,(H,17,20)(H,18,22)/t14-/m0/s1 | | Synonyms: | N-heptylpantothenamide | | Definition date: | 2011-07-05 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide |
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