 | | 8OR | | Name: | 2-[[(1S,2S)-2-azanylcyclohexyl]amino]-4-[(4-methylsulfonylphenyl)amino]-6H-pyrido[4,3-d]pyrimidin-5-one | | Formula: | C20 H24 N6 O3 S | | SMILES: | C[S](=O)(=O)c1ccc(Nc2nc(N[CH]3CCCC[CH]3N)nc4C=CNC(=O)c24)cc1 | | InChi: | InChI=1S/C20H24N6O3S/c1-30(28,29)13-8-6-12(7-9-13)23-18-17-16(10-11-22-19(17)27)25-20(26-18)24-15-5-3-2-4-14(15)21/h6-11,14-15H,2-5,21H2,1H3,(H,22,27)(H2,23,24,25,26)/t14-,15-/m0/s1 | | Synonyms: | (1S,2S)-2-((4-((4-(methylsulfonyl)phenyl)amino)-5-oxo-5,6-dihydropyrido[4,3-d]pyrimidin-2-yl)amino)cyclohexan-1-aminium | | Definition date: | 2017-08-23 | | Last modified: | 2020-06-17 | | Release date: | 2018-06-27 | | Identifier: | 2-[[(1~{S},2~{S})-2-azanylcyclohexyl]amino]-4-[(4-methylsulfonylphenyl)amino]-6~{H}-pyrido[4,3-d]pyrimidin-5-one |
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 | | 8OU | | Name: | 4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8H-pyrido[4,3-d]pyrimidin-5-one | | Formula: | C20 H21 N7 O2 | | SMILES: | Cn1ncc2cc(Nc3nc(nc4CC=NC(=O)c34)N5CCC(O)CC5)ccc12 | | InChi: | InChI=1S/C20H21N7O2/c1-26-16-3-2-13(10-12(16)11-22-26)23-18-17-15(4-7-21-19(17)29)24-20(25-18)27-8-5-14(28)6-9-27/h2-3,7,10-11,14,28H,4-6,8-9H2,1H3,(H,23,24,25) | | Synonyms: | 2-(4-hydroxypiperidin-1-yl)-4-((1-methyl-1H-indazol-5-yl)amino)pyrido[4,3-d]pyrimidin-5(6H)-one | | Definition date: | 2017-08-23 | | Last modified: | 2020-06-17 | | Release date: | 2018-06-27 | | Identifier: | 4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8~{H}-pyrido[4,3-d]pyrimidin-5-one |
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 | | 8PR | | Name: | Paroxetine | | Formula: | C19 H20 F N O3 | | SMILES: | Fc1ccc(cc1)C2CCNCC2COc3ccc4OCOc4c3 | | InChi: | InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | | Synonyms: | (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine | | Definition date: | 2011-07-11 | | Last modified: | 2020-06-17 | | Release date: | 2012-09-21 | | Identifier: | (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine |
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 | | 8QP | | Name: | [(1S)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid | | Formula: | C17 H21 N O3 | | SMILES: | c1(CC)c3c(ccc1)c2CCOC(CC(=O)O)(CC)c2n3 | | InChi: | InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)/t17-/m0/s1 | | Synonyms: | (S)-Etodolac | | Definition date: | 2017-03-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-03-15 | | Identifier: | [(1S)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid |
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 | | 8QS | | Name: | [(1R)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid | | Formula: | C17 H21 N O3 | | SMILES: | C1COC(CC(O)=O)(CC)c2nc3c(c12)cccc3CC | | InChi: | InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)/t17-/m1/s1 | | Synonyms: | (R)-Etodolac | | Definition date: | 2017-03-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-03-15 | | Identifier: | [(1R)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid |
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 | | 8QT | | Name: | (2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol | | Formula: | C19 H27 N7 O | | SMILES: | CC[CH](Nc1nc(NCc2cccnc2)c3ncn(C(C)C)c3n1)[CH](C)O | | InChi: | InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1 | | Synonyms: | CCT068127 | | Definition date: | 2016-12-05 | | Last modified: | 2020-06-17 | | Release date: | 2017-12-20 | | Identifier: | (2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol |
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 | | M27 | | Name: | bis(mu2-oxo)-octaoxo-dimolybdenum (VI) | | Formula: | Mo2 O10 | | SMILES: | [O-][Mo]1([O-])([O-])([O-])O[Mo]([O-])([O-])([O-])([O-])O1 | | InChi: | InChI=1S/2Mo.10O/q | | Synonyms: | dimolybdate [Mo(VI)2O10]8- | | Definition date: | 2013-06-04 | | Last modified: | 2020-06-17 | | Identifier: | 2,2,2,2,4,4,4,4-octakis(oxidanidyl)-1,3-dioxa-2$l^{6},4$l^{6}-dimolybdacyclobutane |
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 | | M28 | | Name: | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | | Formula: | C9 H11 N O4 S | | SMILES: | O=S(=O)(c1ccc(cc1)CCC(=O)O)N | | InChi: | InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14) | | Synonyms: | P-CARBOXYETHYLBENZENESULFONAMIDE | | Definition date: | 2006-10-27 | | Last modified: | 2020-06-17 | | Identifier: | 3-(4-sulfamoylphenyl)propanoic acid |
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 | | M30 | | Name: | N-cyclohexylglycine | | Formula: | C8 H15 N O2 | | SMILES: | O=C(O)CNC1CCCCC1 | | InChi: | InChI=1S/C8H15NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h7,9H,1-6H2,(H,10,11) | | Synonyms: | (2S)-1-[cyclohexylamino)acetyl-N-{4-[amino(imino)methyl]benzyl}pyrrolidine-2-carboxamide | | Definition date: | 2011-02-17 | | Last modified: | 2020-06-17 | | Identifier: | N-cyclohexylglycine |
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 | | M51 | | Name: | {(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone | | Formula: | C22 H30 N6 O S | | SMILES: | O=C(N1CCSC1)C5NCC(N4CCN(c3cc(nn3c2ccccc2)C)CC4)C5 | | InChi: | InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1 | | Synonyms: | Teneligliptin | | Definition date: | 2011-11-08 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-19 | | Identifier: | {(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone |
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 | | M8F | | Name: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-methionine | | Formula: | C14 H25 N3 O6 S2 | | SMILES: | O=C(NC(C(=O)O)CCSC)C(NC(=O)CCCC(C(=O)O)N)CS | | InChi: | InChI=1S/C14H25N3O6S2/c1-25-6-5-9(14(22)23)17-12(19)10(7-24)16-11(18)4-2-3-8(15)13(20)21/h8-10,24H,2-7,15H2,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9+,10-/m0/s1 | | Synonyms: | L-D-(A-aminoadipoyl)-L-cysteinyl-D-methionine | | Definition date: | 2011-01-19 | | Last modified: | 2020-06-17 | | Identifier: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-methionine |
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 | | M98 | | Name: | (S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHY
L)PYRIDINE 1-OXIDE | | Formula: | C23 H18 F8 N2 O4 S | | SMILES: | FC(F)Oc2ccc(cc2OC1CC1)C(c3ncc(s3)C(O)(C(F)(F)F)C(F)(F)F)Cc4c[n+]([O-])ccc4 | | InChi: | InChI=1S/C23H18F8N2O4S/c24-20(25)37-16-6-3-13(9-17(16)36-14-4-5-14)15(8-12-2-1-7-33(35)11-12)19-32-10-18(38-19)21(34,22(26,27)28)23(29,30)31/h1-3,6-7,9-11,14-15,20,34H,4-5,8H2/t15-/m0/s1 | | Synonyms: | 2-{2-[(1S)-1-[3-(CYCLOPROPYLOXY)-4-(DIFLUOROMETHOXY)PHENYL]-2-(1-OXIDOPYRIDIN-3-YL)ETHYL]-1,3-THIAZOL-5-YL}-1,1,1,3,3,3
-HEXAFLUOROPROPAN-2-OL | | Definition date: | 2006-01-20 | | Last modified: | 2020-06-17 | | Identifier: | 2-{2-[(1S)-1-[3-(cyclopropyloxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-3-yl)ethyl]-1,3-thiazol-5-yl}-1,1,1,3,3,3-hexafluoropropan-2-ol |
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 | | MA5 | | Name: | 2-(6-(2-CYCLOHEXYLETHOXY)-TETRAHYDRO-4,5-DIHYDROXY-2(HYDROXYMETHYL)-2H-PYRAN-3-YLOXY)-TETRAHYDRO-6(HYDROXYMETHYL)-2H-PY
RAN-3,4,5-TRIOL | | Formula: | C20 H36 O11 | | SMILES: | O(CCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO | | InChi: | InChI=1S/C20H36O11/c21-8-11-13(23)14(24)16(26)20(29-11)31-18-12(9-22)30-19(17(27)15(18)25)28-7-6-10-4-2-1-3-5-10/h10-27H,1-9H2/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20-/m1/s1 | | Synonyms: | CYCLOHEXYLETHYL-BETA-D-MALTOSIDE | | Definition date: | 2005-10-19 | | Last modified: | 2020-06-17 | | Identifier: | 2-cyclohexylethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | MAR | | Name: | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | | Formula: | C33 H39 N O13 | | SMILES: | O=C2c1c(O)c6c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC6OC5OC(C(OC4OC(C(O)C(O)C4)C)C(N)C5)C | | InChi: | InChI=1S/C33H39NO13/c1-12-27(37)18(36)9-22(44-12)47-32-13(2)45-21(8-17(32)34)46-20-11-33(42,14(3)35)10-16-24(20)31(41)26-25(29(16)39)28(38)15-6-5-7-19(43-4)23(15)30(26)40/h5-7,12-13,17-18,20-22,27,32,36-37,39,41-42H,8-11,34H2,1-4H3/t12-,13-,17-,18-,20-,21-,22-,27-,32+,33-/m0/s1 | | Synonyms: | MAR70 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-arabino-hexopyranosyl)-alpha-L-lyxo-hexopyranoside |
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 | | MAU | | Name: | N-METHYL KIRROMYCIN | | Formula: | C44 H62 N2 O12 | | SMILES: | O=C1N(C=CC(O)=C1C(=O)C(=CC=CC=CC2OC(C(O)C2O)C(C)C(OC)C(=CC=CCNC(=O)C(CC)C3(O)OC(C=CC=C/C)C(C(O)C3O)(C)C)C)C)C | | InChi: | InChI=1S/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,47,49-52,55H,11,24H2,1-9H3,(H,45,53)/b12-10-,15-13+,18-17+,21-16+,22-14+,26-19+,27-20+/t28-,29-,31-,32+,35+,36+,37-,38+,39+,40-,44-/m1/s1 | | Synonyms: | AURODOX | | Definition date: | 2001-03-29 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]tetrahydrofuran-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide (non-preferred name) |
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 | | MAX | | Name: | MATAIRESINOL | | Formula: | C20 H22 O6 | | SMILES: | O=C2OCC(Cc1cc(OC)c(O)cc1)C2Cc3ccc(O)c(OC)c3 | | InChi: | InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1 | | Synonyms: | ARTIGENIN CONGENER | | Definition date: | 2004-12-23 | | Last modified: | 2020-06-17 | | Identifier: | (3R,4R)-3,4-bis(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one |
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 | | MBT | | Name: | 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM | | Formula: | C16 H18 N3 S | | SMILES: | [s+]1c3c(nc2c1cc(cc2)N(C)C)ccc(N(C)C)c3 | | InChi: | InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1 | | Synonyms: | METHYLENE BLUE | | Definition date: | 2007-04-13 | | Last modified: | 2020-06-17 | | Identifier: | 3,7-bis(dimethylamino)phenothiazin-5-ium |
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 | | MC9 | | Name: | CALCIPOTRIOL | | Formula: | C27 H40 O3 | | SMILES: | OC4C(=C)/C(=CC=C2/CCCC3(C)C(C(/C=C/C(O)C1CC1)C)CCC23)CC(O)C4 | | InChi: | InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1 | | Synonyms: | (1S,5Z,7Z,17ALPHA,22E)-24-CYCLOPROPYL-9,10-SECOCHOLA-5,7,10,22-TETRAENE-1,3,24-TRIOL | | Definition date: | 2004-01-14 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3R,5Z,7E,14beta,17alpha,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol |
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 | | MCH | | Name: | trichloromethane | | Formula: | C H Cl3 | | SMILES: | ClC(Cl)Cl | | InChi: | InChI=1S/CHCl3/c2-1(3)4/h1H | | Synonyms: | Chloroform CHCl3 | | Definition date: | 2009-02-16 | | Last modified: | 2020-06-17 | | Identifier: | trichloromethane |
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 | | MCI | | Name: | (2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID | | Formula: | C19 H19 N5 O3 S2 | | SMILES: | O=C(O)C(=NC(=O)C(CCc1ccccc1)CS)/c2sc(cc2)Cn3nnnc3 | | InChi: | InChI=1S/C19H19N5O3S2/c25-18(14(11-28)7-6-13-4-2-1-3-5-13)21-17(19(26)27)16-9-8-15(29-16)10-24-12-20-22-23-24/h1-5,8-9,12,14,28H,6-7,10-11H2,(H,26,27)/t14-/m1/s1 | | Synonyms: | MERCAPTOCARBOXYLATE INHIBITOR | | Definition date: | 1999-11-10 | | Last modified: | 2020-06-17 | | Identifier: | (2E)-{[(2S)-4-phenyl-2-(sulfanylmethyl)butanoyl]imino}[5-(1H-tetrazol-1-ylmethyl)thiophen-2-yl]ethanoic acid |
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 | | MCZ | | Name: | (1S,3R,5Z,7E,14beta,17alpha,20S)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol | | Formula: | C26 H42 O4 | | SMILES: | OC3C(=C)C(=C/C=C1CCCC2(C)C(C(OCCC(O)(C)C)C)CCC12)CC(O)C3 | | InChi: | InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1 | | Synonyms: | Maxacalcitol | | Definition date: | 2011-06-28 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3R,5Z,7E,14beta,17alpha,20S)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol |
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 | | MD7 | | Name: | (2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide | | Formula: | C19 H16 N2 O2 | | SMILES: | O=C(C(C#N)=C(/O)C1CC1)Nc3ccc(c2ccccc2)cc3 | | InChi: | InChI=1S/C19H16N2O2/c20-12-17(18(22)15-6-7-15)19(23)21-16-10-8-14(9-11-16)13-4-2-1-3-5-13/h1-5,8-11,15,22H,6-7H2,(H,21,23)/b18-17- | | Synonyms: | N-(Biphenyl-4-yl)-2-cyano-3-cyclopropyl-3-hydroxyacrylamide | | Definition date: | 2009-02-02 | | Last modified: | 2020-06-17 | | Identifier: | (2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide |
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 | | MDW | | Name: | (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE | | Formula: | C18 H20 N2 O7 S | | SMILES: | O=S(=O)(c1ccc(OC)cc1)N3C(c2c(cc(O)c(OC)c2)CC3)C(=O)NO | | InChi: | InChI=1S/C18H20N2O7S/c1-26-12-3-5-13(6-4-12)28(24,25)20-8-7-11-9-15(21)16(27-2)10-14(11)17(20)18(22)19-23/h3-6,9-10,17,21,23H,7-8H2,1-2H3,(H,19,22)/t17-/m1/s1 | | Synonyms: | 6-HYDROXY-7-METHOXY-2-(4-METHOXY-BENZENESULFONYL)-1,2,3,4,-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID HYDROXYAMIDE | | Definition date: | 2006-02-09 | | Last modified: | 2020-06-17 | | Identifier: | (1R)-N,6-dihydroxy-7-methoxy-2-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide |
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 | | ME8 | | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]
(2S)-2-azanyl-4-methylsulfanyl-butanoate | | Formula: | C15 H23 N6 O8 P S | | SMILES: | O=P(OC(=O)C(N)CCSC)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C15H23N6O8PS/c1-31-3-2-7(16)15(24)29-30(25,26)27-4-8-10(22)11(23)14(28-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1 | | Synonyms: | L-methionine-AMP | | Definition date: | 2009-10-30 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-[(S)-{[(2S)-2-amino-4-(methylsulfanyl)butanoyl]oxy}(hydroxy)phosphoryl]adenosine |
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 | | MEL | | Name: | [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID | | Formula: | C22 H31 N5 O4 | | SMILES: | O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)C(NCC(=O)O)C2CCCCC2)CC3 | | InChi: | InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1 | | Synonyms: | MELAGATRAN (ASTRA-ZENECA) | | Definition date: | 2001-10-23 | | Last modified: | 2020-06-17 | | Identifier: | N-[(1R)-2-{(2S)-2-[(4-carbamimidoylbenzyl)carbamoyl]azetidin-1-yl}-1-cyclohexyl-2-oxoethyl]glycine |
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