 | | 5H9 | | Name: | N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-4-methyl-L-leucine | | Formula: | C22 H36 N3 O7 P | | SMILES: | c1ccc(COC(=O)NCP(=O)(O)NC(C(NC(C(=O)O)CC(C)(C)C)=O)CC(C)C)cc1 | | InChi: | InChI=1S/C22H36N3O7P/c1-15(2)11-17(19(26)24-18(20(27)28)12-22(3,4)5)25-33(30,31)14-23-21(29)32-13-16-9-7-6-8-10-16/h6-10,15,17-18H,11-14H2,1-5H3,(H,23,29)(H,24,26)(H,27,28)(H2,25,30,31)/t17-,18-/m0/s1 | | Synonyms: | (6S,9S)-1-(benzyloxy)-6-isobutyl-9-neopentyl-4-oxido-1,4,7-trioxo-2,5,8-triaza-4-phosphadecan-10-oate | | Definition date: | 2015-09-25 | | Last modified: | 2021-03-13 | | Release date: | 2015-10-28 | | Identifier: | N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-4-methyl-L-leucine |
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 | | 201 | | Name: | 3-AMIDO-5-BIPHENYL-BENZOIC ACID | | Formula: | C20 H15 N O3 | | SMILES: | O=C(c3cc(c2ccc(c1ccccc1)cc2)cc(c3)C(=O)O)N | | InChi: | InChI=1S/C20H15NO3/c21-19(22)17-10-16(11-18(12-17)20(23)24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H2,21,22)(H,23,24) | | Synonyms: | 5-(AMINOCARBONYL)-1,1':4',1''-TERPHENYL-3-CARBOXYLIC ACID | | Definition date: | 2005-09-19 | | Last modified: | 2021-03-13 | | Identifier: | 5-carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid |
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 | | SUB | | Name: | 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PROPIONIC ACID ETHYL ESTER | | Formula: | C23 H28 N2 O5 S2 | | SMILES: | O=S(=O)(N2C(C(=O)NC(C(=O)OCC)Cc1ccccc1)CSCC2)c3ccc(cc3)C | | InChi: | InChI=1S/C23H28N2O5S2/c1-3-30-23(27)20(15-18-7-5-4-6-8-18)24-22(26)21-16-31-14-13-25(21)32(28,29)19-11-9-17(2)10-12-19/h4-12,20-21H,3,13-16H2,1-2H3,(H,24,26)/t20-,21-/m0/s1 | | Synonyms: | (3R)-4-(P-TOLUENESULFONYL)-1,4-THIAZANE-3-CARBOXYLIC ACID-L-PHENYLALANINE ETHYL ESTER | | Definition date: | 2001-10-18 | | Last modified: | 2021-03-13 | | Identifier: | ethyl N-({(3R)-4-[(4-methylphenyl)sulfonyl]thiomorpholin-3-yl}carbonyl)-L-phenylalaninate |
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 | | RML | | Name: | (11,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+) | | Formula: | C40 H26 N12 Ru | | SMILES: | n1c3c6c5c4c(c3nc2c1cc(c(c2)C)C)cccn4[Ru+2]%12%10(n5ccc6)(n7c9c(ncc7)ccc8nccn%10c89)n%13c%14c%11c(nccn%11%12)ccc%14ncc%13 | | InChi: | InChI=1S/C20H14N4.2C10H6N4.Ru/c1-11-9-15-16(10-12(11)2)24-20-14-6-4-8-22-18(14)17-13(19(20)23-15)5-3-7-21-17 | | Synonyms: | Lambda-[Ru(1,4,5,8-tetraazaphenanthrene)2(11,12-dimethyl-dipyridophenazine)]2+ | | Definition date: | 2012-03-07 | | Last modified: | 2021-03-13 | | Release date: | 2013-03-06 | | Identifier: | (11,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+) |
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 | | NYM | | Name: | 3'-DEOXY-3'-AMINOTHYMIDINE MONOPHOSPHATE | | Formula: | C10 H16 N3 O7 P | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(N)C2)COP(=O)(O)O | | InChi: | InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4,11H2,1H3,(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 | | Synonyms: | PHOSPHORIC ACID MONO-[3-AMINO-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER | | Definition date: | 2003-01-15 | | Last modified: | 2021-03-13 | | Identifier: | 3'-amino-3'-deoxythymidine 5'-(dihydrogen phosphate) |
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 | | 20E | | Name: | (2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one | | Formula: | C27 H44 O7 | | SMILES: | O=C1C=C3C(C2(CC(O)C(O)CC12)C)CCC4(C)C(C(O)(C)C(O)CCC(O)(C)C)CCC34O | | InChi: | InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1 | | Synonyms: | 2-beta,3-beta,14,20,22,25-Hexahydroxy-5-beta-cholet-7-en-6- one | | Definition date: | 2007-09-14 | | Last modified: | 2021-03-13 | | Identifier: | (2alpha,3alpha,5alpha,22R)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one |
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 | | S13 | | Name: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol | | Formula: | C15 H21 N O6 | | SMILES: | O1C(C(O)C(O)C(O)C13ONC(c2ccc(cc2)C)C3)CO | | InChi: | InChI=1S/C15H21NO6/c1-8-2-4-9(5-3-8)10-6-15(22-16-10)14(20)13(19)12(18)11(7-17)21-15/h2-5,10-14,16-20H,6-7H2,1H3/t10-,11+,12+,13-,14+,15+/m0/s1 | | Synonyms: | (1R)-3'-(4-methylphenyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] | | Definition date: | 2007-09-04 | | Last modified: | 2021-03-13 | | Identifier: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol |
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 | | ZZ4 | | Name: | 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine | | Formula: | C16 H11 Cl2 N5 | | SMILES: | Clc1ccc(c(Cl)c1)c3nc(ncc3/N=N/c2ccccc2)N | | InChi: | InChI=1S/C16H11Cl2N5/c17-10-6-7-12(13(18)8-10)15-14(9-20-16(19)21-15)23-22-11-4-2-1-3-5-11/h1-9H,(H2,19,20,21)/b23-22+ | | Synonyms: | 4-(2,4-DICHLORO-PHEYL)-5-PHENYLAZO-PYRIMIDIN-2YLAMINE | | Definition date: | 2009-05-08 | | Last modified: | 2021-03-13 | | Identifier: | 4-(2,4-dichlorophenyl)-5-[(E)-phenyldiazenyl]pyrimidin-2-amine |
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 | | MR5 | | Name: | 4-(1,3-BENZOXAZOL-2-YL)-2,6-DIBROMOPHENOL | | Formula: | C13 H7 Br2 N O2 | | SMILES: | Brc3cc(c1nc2ccccc2o1)cc(Br)c3O | | InChi: | InChI=1S/C13H7Br2NO2/c14-8-5-7(6-9(15)12(8)17)13-16-10-3-1-2-4-11(10)18-13/h1-6,17H | | Synonyms: | 2-(3,5-DIBROMO-4-HYDROXYPHENYL)BENZOXAZOLE | | Definition date: | 2007-07-06 | | Last modified: | 2021-03-13 | | Identifier: | 4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol |
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 | | MR8 | | Name: | 28-O-Methylrapamycin | | Formula: | C52 H81 N O13 | | SMILES: | O=C1C(=O)C4(O)OC(CC(OC)C(=CC=CC=CC(C)CC(C(=O)C(OC)C(OC)C(=CC(C(=O)CC(OC(=O)C2N1CCCC2)C(C)CC3CCC(O)C(OC)C3)C)C)C)C)CCC4C | | InChi: | InChI=1S/C52H81NO13/c1-31-17-13-12-14-18-32(2)43(61-8)29-39-22-20-37(7)52(60,66-39)49(57)50(58)53-24-16-15-19-40(53)51(59)65-44(34(4)27-38-21-23-41(54)45(28-38)62-9)30-42(55)33(3)26-36(6)47(63-10)48(64-11)46(56)35(5)25-31/h12-14,17-18,26,31,33-35,37-41,43-45,47-48,54,60H,15-16,19-25,27-30H2,1-11H3/b14-12+,17-13+,32-18+,36-26+/t31-,33-,34-,35-,37-,38+,39+,40+,41-,43+,44+,45-,47-,48+,52-/m1/s1 | | Synonyms: | (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-27-hydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-9,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone 28-O-Methylrapamycin | | Definition date: | 2012-02-03 | | Last modified: | 2021-03-13 | | Identifier: | (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-27-hydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-9,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone |
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 | | RMY | | Name: | ethyl 3-O-[5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl]-1-thio-beta-D-galactopyranoside | | Formula: | C19 H33 N O13 S | | SMILES: | O=C(O)C2(OC1C(O)C(SCC)OC(CO)C1O)OC(C(NC(=O)C)C(O)C2)C(O)C(O)CO | | InChi: | InChI=1S/C19H33NO13S/c1-3-34-17-14(28)16(13(27)10(6-22)31-17)33-19(18(29)30)4-8(24)11(20-7(2)23)15(32-19)12(26)9(25)5-21/h8-17,21-22,24-28H,3-6H2,1-2H3,(H,20,23)(H,29,30)/t8-,9+,10+,11+,12+,13-,14+,15+,16-,17-,19-/m0/s1 | | Synonyms: | alpha-2,3-sialyl (1-thioethyl)galactose | | Definition date: | 2011-04-13 | | Last modified: | 2021-03-13 | | Identifier: | ethyl 3-O-[5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl]-1-thio-beta-D-galactopyranoside |
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 | | PN0 | | Name: | Prinomastat | | Formula: | C18 H21 N3 O5 S2 | | SMILES: | O=S(=O)(N1C(C(=O)NO)C(SCC1)(C)C)c3ccc(Oc2ccncc2)cc3 | | InChi: | InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1 | | Synonyms: | (3S)-N-hydroxy-2,2-dimethyl-4-{[4-(pyridin-4-yloxy)phenyl]sulfonyl}thiomorpholine-3-carboxamide | | Definition date: | 2011-02-10 | | Last modified: | 2021-03-13 | | Identifier: | (3S)-N-hydroxy-2,2-dimethyl-4-{[4-(pyridin-4-yloxy)phenyl]sulfonyl}thiomorpholine-3-carboxamide |
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 | | XCT | | Name: | 4-AMINO-1-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-D-ERYTHRO-HEXOPYRANOSYL)PYRIMIDIN-2(1H)-ONE | | Formula: | C10 H16 N3 O7 P | | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)CC2)COP(=O)(O)O | | InChi: | InChI=1S/C10H16N3O7P/c11-8-3-4-13(10(15)12-8)9-2-1-6(14)7(20-9)5-19-21(16,17)18/h3-4,6-7,9,14H,1-2,5H2,(H2,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1 | | Synonyms: | 2',3'-DI-DEOXY-BETA-D-GLUCOPYRANOSYL CYTOSINE | | Definition date: | 2006-06-20 | | Last modified: | 2021-03-13 | | Identifier: | 4-amino-1-(2,3-dideoxy-6-O-phosphono-beta-D-erythro-hexopyranosyl)pyrimidin-2(1H)-one |
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 | | WZB | | Name: | (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE | | Formula: | C20 H30 N2 O6 S2 | | SMILES: | O=S(=O)(Oc1cc4c(cc1CC)C3CCC2(C(CCC2OS(=O)(=O)N)C3CC4)C)N | | InChi: | InChI=1S/C20H30N2O6S2/c1-3-12-10-16-13(11-18(12)27-29(21,23)24)4-5-15-14(16)8-9-20(2)17(15)6-7-19(20)28-30(22,25)26/h10-11,14-15,17,19H,3-9H2,1-2H3,(H2,21,23,24)(H2,22,25,26)/t14-,15+,17-,19-,20-/m0/s1 | | Synonyms: | 2-ETHYLESTRADIOL 3,17-O,O-BIS-SULFAMATE | | Definition date: | 2009-11-23 | | Last modified: | 2021-03-13 | | Identifier: | (9beta,13alpha,14beta,17alpha)-2-ethylestra-1(10),2,4-triene-3,17-diyl disulfamate |
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 | | TA8 | | Name: | POLYACRYLIC ACID | | Formula: | C12 H18 O8 | | SMILES: | O=C(O)C(CC(C(=O)O)CCC(=O)O)CC(C(=O)O)C | | InChi: | InChI=1S/C12H18O8/c1-6(10(15)16)4-8(12(19)20)5-7(11(17)18)2-3-9(13)14/h6-8H,2-5H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-,8-/m0/s1 | | Synonyms: | OCTANE-1,3,5,7-TETRACARBOXYLIC ACID | | Definition date: | 2011-11-08 | | Last modified: | 2021-03-13 | | Identifier: | (3S,5S,7S)-octane-1,3,5,7-tetracarboxylic acid |
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 | | MRR | | Name: | (R)-2-METHYLMYRISTOYL-COENZYME A | | Formula: | C36 H64 N7 O17 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C(C)CCCCCCCCCCCC | | InChi: | InChI=1S/C36H64N7O17P3S/c1-5-6-7-8-9-10-11-12-13-14-15-24(2)35(48)64-19-18-38-26(44)16-17-39-33(47)30(46)36(3,4)21-57-63(54,55)60-62(52,53)56-20-25-29(59-61(49,50)51)28(45)34(58-25)43-23-42-27-31(37)40-22-41-32(27)43/h22-25,28-30,34,45-46H,5-21H2,1-4H3,(H,38,44)(H,39,47)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t24-,25-,28-,29-,30+,34-/m1/s1 | | Synonyms: | [5-(6-AMINOPURIN-9-YL)-2-[[[[3-[2-(2-(R)-2-METHYLTETRADECANOYL)-SULFANYLETHYLCARBAMOYL ETHYLCARBAMOYL]-3-HYDROXY-2,2-DIMETHYL-PROPOXY]-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL]OXYMETHYL]-4-HYDROXY-OXOLAN-3-YL]OXYPHOSPHONIC ACID | | Definition date: | 2006-03-22 | | Last modified: | 2021-03-13 | | Identifier: | S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (2R)-2-methyltetradecanethioate (non-preferred name) |
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 | | VOR | | Name: | Voriconazole | | Formula: | C16 H14 F3 N5 O | | SMILES: | Fc1cncnc1C(C(O)(c2ccc(F)cc2F)Cn3ncnc3)C | | InChi: | InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1 | | Synonyms: | (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol | | Definition date: | 2010-04-01 | | Last modified: | 2021-03-13 | | Identifier: | (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol |
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 | | TOY | | Name: | TOBRAMYCIN | | Formula: | C18 H37 N5 O9 | | SMILES: | O(C2C(O)C(OC1OC(CN)C(O)CC1N)C(N)CC2N)C3OC(C(O)C(N)C3O)CO | | InChi: | InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1 | | Synonyms: | 4-AMINO-2-[4,6-DIAMINO-3-(3-AMINO-6-AMINOMETHYL-5-HYDROXY-TETRAHYDRO-PYRAN-2-YLOXY)-2-HYDROXY-CYCLOHEXYLOXY]-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL | | Definition date: | 2002-04-09 | | Last modified: | 2021-03-13 | | Identifier: | (1S,2S,3R,4S,6R)-4,6-diamino-3-[(2,6-diamino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside |
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 | | MRS | | Name: | (S)-2-METHYLMYRISTOYL-COENZYME A | | Formula: | C36 H64 N7 O17 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C(C)CCCCCCCCCCCC | | InChi: | InChI=1S/C36H64N7O17P3S/c1-5-6-7-8-9-10-11-12-13-14-15-24(2)35(48)64-19-18-38-26(44)16-17-39-33(47)30(46)36(3,4)21-57-63(54,55)60-62(52,53)56-20-25-29(59-61(49,50)51)28(45)34(58-25)43-23-42-27-31(37)40-22-41-32(27)43/h22-25,28-30,34,45-46H,5-21H2,1-4H3,(H,38,44)(H,39,47)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t24-,25+,28+,29+,30-,34+/m0/s1 | | Synonyms: | [5-(6-AMINOPURIN-9-YL)-2-[[[[3-[2-(2-(S)-2-METHYLTETRADECANOYL)-SULFANYLETHYLCARBAMOYL ETHYLCARBAMOYL]-3-HYDROXY-2,2-DIMETHYL-PROPOXY]-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL]OXYMETHYL]-4-HYDROXY-OXOLAN-3-YL]OXYPHOSPHONIC ACID | | Definition date: | 2006-03-22 | | Last modified: | 2021-03-13 | | Identifier: | S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (2S)-2-methyltetradecanethioate (non-preferred name) |
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 | | PNK | | Name: | (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C16 H20 N2 O5 S | | SMILES: | O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)Cc2ccccc2 | | InChi: | InChI=1S/C16H20N2O5S/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)/t11-,12-,13+/m0/s1 | | Synonyms: | Penicillin, hydroxylated form | | Definition date: | 2009-06-22 | | Last modified: | 2021-03-13 | | Identifier: | (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | 21B | | Name: | Nortriptyline | | Formula: | C19 H21 N | | SMILES: | c3cc2c(/C(c1c(cccc1)CC2)=C/CCNC)cc3 | | InChi: | InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3 | | Synonyms: | 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine | | Definition date: | 2013-08-14 | | Last modified: | 2021-03-13 | | Release date: | 2013-09-18 | | Identifier: | 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine |
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 | | TAO | | Name: | TROLEANDOMYCIN | | Formula: | C41 H67 N O15 | | SMILES: | O=C(OC4C(N(C)C)CC(OC4OC3C(C(OC1OC(C(OC(=O)C)C(OC)C1)C)C(C(=O)OC(C)C(C)C(OC(=O)C)C(C(=O)C2(OC2)CC3C)C)C)C)C)C | | InChi: | InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20-,21+,22-,23-,24-,25-,26+,30+,31+,32+,33+,34-,35+,36+,37-,40+,41-/m1/s1 | | Synonyms: | (3R,5S,6S,7R,8S,11S,12R,13S,14R,15S)-12-[(4-O-ACETYL-2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSYL)OXY]-14-{[2-O-ACETYL-3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-1,9-DIOXASPIRO[2.13]HEXADEC-6-YL ACETATE | | Definition date: | 2003-03-03 | | Last modified: | 2021-03-13 | | Identifier: | (3R,5R,6R,7S,8R,11R,12S,13R,14S,15R)-12-[(4-O-acetyl-2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-14-{[2-O-acetyl-3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-5,7,8,11,13,15-hexamethyl-4,10-dioxo-1,9-dioxaspiro[2.13]hexadec-6-yl acetate |
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 | | 5IP | | Name: | (1R,2R,3R,4R,5S,6S)-6-HYDROXYCYCLOHEXANE-1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)] | | Formula: | C6 H17 O21 P5 | | SMILES: | O=P(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O | | InChi: | InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3+,4-,5-,6+/m1/s1 | | Synonyms: | D-MYO-INS(1,2,3,5,6)P5 | | Definition date: | 2006-08-28 | | Last modified: | 2021-03-13 | | Identifier: | (1R,2R,3R,4R,5S,6S)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] |
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 | | X05 | | Name: | AMINO-CASTANOSPERMINE | | Formula: | C8 H16 N2 O3 | | SMILES: | OC1CCN2C1C(O)C(O)C(N)C2 | | InChi: | InChI=1S/C8H16N2O3/c9-4-3-10-2-1-5(11)6(10)8(13)7(4)12/h4-8,11-13H,1-3,9H2/t4-,5-,6+,7+,8+/m0/s1 | | Synonyms: | (1S,6S,7R,8R,8AR)-6-AMINOOCTAHYDROINDOLIZINE-1,7,8-TRIOL | | Definition date: | 2009-12-05 | | Last modified: | 2021-03-13 | | Identifier: | (1S,6S,7R,8R,8aR)-6-aminooctahydroindolizine-1,7,8-triol |
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 | | 21V | | Name: | N-(4-{2-[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-L-glutamic acid | | Formula: | C21 H25 N5 O6 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)CCC3CC=2C(=O)N=C(NC=2NC3)N)CCC(=O)O | | InChi: | InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15-/m0/s1 | | Synonyms: | 5,10-dideazatetrahydrofolic acid | | Definition date: | 2013-08-22 | | Last modified: | 2021-03-13 | | Release date: | 2013-09-25 | | Identifier: | N-(4-{2-[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-L-glutamic acid |
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