 | | 31I | | Name: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(propan-2-yl)phthalazin-2(1H)-yl]prop-2-en
-1-one | | Formula: | C27 H30 N6 O3 | | SMILES: | O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N4N=Cc3ccccc3C4C(C)C | | InChi: | InChI=1S/C27H30N6O3/c1-16(2)24-21-8-6-5-7-19(21)15-31-33(24)23(34)10-9-18-11-17(13-22(35-3)25(18)36-4)12-20-14-30-27(29)32-26(20)28/h5-11,13-16,24H,12H2,1-4H3,(H4,28,29,30,32)/b10-9+/t24-/m0/s1 | | Synonyms: | (S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-isopropylphthalazin-2(1H)-yl)prop-2-en-1-one | | Definition date: | 2012-04-17 | | Last modified: | 2020-06-17 | | Release date: | 2013-02-08 | | Identifier: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(propan-2-yl)phthalazin-2(1H)-yl]prop-2-en-1-one |
|
 | | MLG | | Name: | N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE | | Formula: | C13 H15 Cl2 N O | | SMILES: | Clc1cc(Cl)ccc1OCCCN(CC#C)C | | InChi: | InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3 | | Synonyms: | N-METHYL-N-PROPARGYL-3-(2,4-DICHLOROPHENOXY)PROPYLAMINE | | Definition date: | 2003-10-08 | | Last modified: | 2020-06-17 | | Identifier: | N-[3-(2,4-dichlorophenoxy)propyl]-N-methylprop-2-yn-1-amine |
|
 | | 31S | | Name: | (2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid | | Formula: | C23 H19 Cl O2 | | SMILES: | Clc1ccc(cc1)CCC(c3ccc(c2ccccc2)cc3)=CC(=O)O | | InChi: | InChI=1S/C23H19ClO2/c24-22-14-7-17(8-15-22)6-9-21(16-23(25)26)20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-5,7-8,10-16H,6,9H2,(H,25,26)/b21-16- | | Synonyms: | PS315 | | Definition date: | 2014-03-11 | | Last modified: | 2020-06-17 | | Release date: | 2014-05-28 | | Identifier: | (2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid |
|
 | | MLT | | Name: | D-MALATE | | Formula: | C4 H6 O5 | | SMILES: | O=C(O)C(O)CC(=O)O | | InChi: | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1 | | Synonyms: | (2R)-2-HYDROXYBUTANEDIOIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-hydroxybutanedioic acid |
|
 | | 326 | | Name: | 2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID | | Formula: | C18 H16 N4 O9 S2 | | SMILES: | O=S(=O)(O)c3cc(/N=N/c2c(nn(c1c(cc(cc1)S(=O)(=O)O)C)c2O)C)c(C(=O)O)cc3 | | InChi: | InChI=1S/C18H16N4O9S2/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25/h3-8,23H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31)/b20-19+ | | Synonyms: | 2-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFO-PHENYL)-1H-PYRAZOL-4-YLAZO]-4-SULFO-BENZOIC ACID | | Definition date: | 2004-06-17 | | Last modified: | 2020-06-17 | | Identifier: | 2-{(E)-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl}-4-sulfobenzoic acid |
|
 | | MM1 | | Name: | 1,4,8,11-TETRAAZA-CYCLOTETRADECANE CU(II) | | Formula: | C10 H24 Cu N4 | | SMILES: | [Cu]|1|2|3|N4CCCN|1CCN|2CCCN|3CC4 | | InChi: | InChI=1S/C10H24N4.Cu/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1 | | Synonyms: | CU-CYCLAM | | Definition date: | 2005-01-17 | | Last modified: | 2020-06-17 |
|
 | | MMB | | Name: | (2R,3E)-2-{4-[(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)METHOXY]BENZYL}-3-(PROPOXYIMINO)BUTANOIC ACID | | Formula: | C25 H28 N2 O5 | | SMILES: | O=C(O)C(C(=NOCCC)C)Cc3ccc(OCc1nc(oc1C)c2ccccc2)cc3 | | InChi: | InChI=1S/C25H28N2O5/c1-4-14-31-27-17(2)22(25(28)29)15-19-10-12-21(13-11-19)30-16-23-18(3)32-24(26-23)20-8-6-5-7-9-20/h5-13,22H,4,14-16H2,1-3H3,(H,28,29)/b27-17+/t22-/m1/s1 | | Synonyms: | (R,E)-2-(4-((5-METHYL-2-PHENYLOXAZOL-4-YL)METHOXY)BENZYL)-3-(PROPOXYIMINO)BUTANOIC ACID | | Definition date: | 2006-10-31 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3E)-2-{4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyl}-3-(propoxyimino)butanoic acid |
|
 | | 32M | | Name: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol | | Formula: | C20 H42 O7 | | SMILES: | O(CCOCCCCCCCC)CCOCCOCCOCCOCCO | | InChi: | InChI=1S/C20H42O7/c1-2-3-4-5-6-7-9-22-11-13-24-15-17-26-19-20-27-18-16-25-14-12-23-10-8-21/h21H,2-20H2,1H3 | | Synonyms: | HEXAETHYLENE GLYCOL MONOOCTYL ETHER | | Definition date: | 2014-05-27 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-09 | | Identifier: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol |
|
 | | MMI | | Name: | N-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMINO)OXOMETHYL]-2-METHYLPROPYL}AMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXO-OCT-4-YL]-(4S,7S)-4
-ISOPROPYL-2,5,9-TRIOXO-1-OXA-3,6,10-TRIAZACYCLOHEXADECANE-7-CARBOXAMIDE | | Formula: | C38 H62 N6 O8 | | SMILES: | O=C(NCc1ccccc1)C(NC(=O)C(C)CC(O)C(NC(=O)C2NC(=O)C(NC(=O)OCCCCCCNC(=O)C2)C(C)C)CC(C)C)C(C)C | | InChi: | InChI=1S/C38H62N6O8/c1-23(2)19-28(30(45)20-26(7)34(47)43-32(24(3)4)36(49)40-22-27-15-11-10-12-16-27)41-35(48)29-21-31(46)39-17-13-8-9-14-18-52-38(51)44-33(25(5)6)37(50)42-29/h10-12,15-16,23-26,28-30,32-33,45H,8-9,13-14,17-22H2,1-7H3,(H,39,46)(H,40,49)(H,41,48)(H,42,50)(H,43,47)(H,44,51)/t26-,28+,29+,30+,32+,33+/m1/s1 | | Synonyms: | MMI-175 | | Definition date: | 2004-12-06 | | Last modified: | 2020-06-17 | | Identifier: | (4S,7S)-N-[(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-2-hydroxy-4-methyl-1-(2-methylpropyl)-5-oxopentyl]-4-(1-methylethyl)-2,5,9-trioxo-1-oxa-3,6,10-triazacyclohexadecane-7-carboxamide |
|
 | | MMS | | Name: | MIMOSINE | | Formula: | C8 H10 N2 O4 | | SMILES: | O=C(O)C(N)CN1C=CC(=O)C(O)=C1 | | InChi: | InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1 | | Synonyms: | 3-HYDROXY-4-OXO-1(4H)-PYRIDINEALANINE | | Definition date: | 2002-08-22 | | Last modified: | 2020-06-17 | | Release date: | 2017-07-12 | | Identifier: | 3-(3-hydroxy-4-oxopyridin-1(4H)-yl)-L-alanine |
|
 | | 331 | | Name: | (2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-METHYLBUTYRIC ACID | | Formula: | C27 H36 F2 N2 O4 | | SMILES: | Fc1ccc(c(F)c1)NC(=O)N(CCCCCCC)CCc2ccc(OC(C(=O)O)(CC)C)cc2 | | InChi: | InChI=1S/C27H36F2N2O4/c1-4-6-7-8-9-17-31(26(34)30-24-15-12-21(28)19-23(24)29)18-16-20-10-13-22(14-11-20)35-27(3,5-2)25(32)33/h10-15,19H,4-9,16-18H2,1-3H3,(H,30,34)(H,32,33)/t27-/m0/s1 | | Synonyms: | GW2331 | | Definition date: | 2004-11-24 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)amino}ethyl)phenoxy]-2-methylbutanoic acid |
|
 | | 334 | | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE | | Formula: | C15 H13 Br N4 O | | SMILES: | Brc3cc(cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c3[O-])C | | InChi: | InChI=1S/C15H13BrN4O/c1-7-4-9(13(21)10(16)5-7)15-19-11-3-2-8(14(17)18)6-12(11)20-15/h2-6,21H,1H3,(H3,17,18)(H,19,20) | | Synonyms: | CRA_9334 | | Definition date: | 2003-03-14 | | Last modified: | 2020-06-17 | | Identifier: | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-bromo-4-methylphenolate |
|
 | | MNU | | Name: | (2R,4S)-1-[(4R)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]-5-[(METHYLAMINO)METHYL]-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIOL-5'-MON
OPHOSPHATE | | Formula: | C11 H18 N3 O9 P | | SMILES: | O=C1NC(=O)N(C=C1CNC)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C11H18N3O9P/c1-12-2-5-3-14(11(18)13-9(5)17)10-8(16)7(15)6(23-10)4-22-24(19,20)21/h3,6-8,10,12,15-16H,2,4H2,1H3,(H,13,17,18)(H2,19,20,21)/t6-,7-,8-,10-/m1/s1 | | Synonyms: | C5-(METHYLAMINO)METHYL-URIDINE-5'-MONOPHOSPHATE | | Definition date: | 2004-11-12 | | Last modified: | 2020-06-17 | | Identifier: | 5-[(methylamino)methyl]uridine 5'-(dihydrogen phosphate) |
|
 | | 346 | | Name: | (R)-(4-CARBAMIMIDOYL-PHENYLAMINO)-[5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO-FURAN-3-YLOXY]-PHENYL]-ACETIC ACID | | Formula: | C21 H24 F N3 O5 | | SMILES: | O=C(O)C(c2c(F)c(OC1CCOC1)cc(OCC)c2)Nc3ccc(C(=[N@H])N)cc3 | | InChi: | InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)/t14-,19-/m1/s1 | | Synonyms: | (2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){5-ETHOXY-2-FLUORO-3-[(3R)-TETRAHYDROFURAN-3-YLOXY]PHENYL}ACETIC ACID | | Definition date: | 2005-08-11 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-[(4-carbamimidoylphenyl)amino]{5-ethoxy-2-fluoro-3-[(3R)-tetrahydrofuran-3-yloxy]phenyl}ethanoic acid |
|
 | | MO7 | | Name: | bis(mu4-oxo)-bis(mu3-oxo)-octakis(mu2-oxo)-dodecaoxo-heptamolybdenum (VI) | | Formula: | Mo7 O24 | | SMILES: | [O-][Mo]123(=O)|O4[Mo]|5678O[Mo]9([O-])(=O)(O1)O[Mo]%10([O-])(=O)(O|5[Mo]%11([O-])(=O)(O[Mo]%12([O-])(=O)(O6)O[Mo]4([O-])(=O)(O2)[O]7%11%12)O%10)[O]389 | | InChi: | InChI=1S/7Mo.24O/q | | Synonyms: | HEPTAMOLYBDATE [Mo(VI)7O24]6- | | Definition date: | 2003-04-15 | | Last modified: | 2020-06-17 |
|
 | | 34G | | Name: | emetine | | Formula: | C29 H40 N2 O4 | | SMILES: | O(c1cc2c(cc1OC)C(NCC2)CC5CC4c3c(cc(OC)c(OC)c3)CCN4CC5CC)C | | InChi: | InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m1/s1 | | Synonyms: | (3beta,14beta)-6',7',10,11-tetramethoxyemetan | | Definition date: | 2014-06-16 | | Last modified: | 2020-06-17 | | Release date: | 2014-07-16 | | Identifier: | (3beta,14beta)-6',7',10,11-tetramethoxyemetan |
|
 | | MOU | | Name: | (1S,4R,5R,9S,11S)-2-({[(2S,5R,6R,7R,9S,10R)-2-(7-CARBOXYHEPTYL)-6-HYDROXY-10-METHOXY-9-METHYL-3-OXO-1,4,8-TRIOXASPIRO[4
.5]DEC-7-YL]OXY}METHYL)-9-FORMYL-13-ISOPROPYL-5-METHYLTETRACYCLO[7.4.0.02,11.04.8]TRIDEC-12-ENE-1-CARBOXYLIC ACID | | Formula: | C37 H54 O12 | | SMILES: | O=CC41CC2C=C(C(C)C)C1(C(=O)O)C2(CC3C(C)CCC34)COC6OC(C)C(OC)C5(OC(=O)C(O5)CCCCCCCC(=O)O)C6O | | InChi: | InChI=1S/C37H54O12/c1-20(2)26-15-23-16-34(18-38)25-14-13-21(3)24(25)17-35(23,36(26,34)33(43)44)19-46-32-29(41)37(30(45-5)22(4)47-32)48-27(31(42)49-37)11-9-7-6-8-10-12-28(39)40/h15,18,20-25,27,29-30,32,41H,6-14,16-17,19H2,1-5H3,(H,39,40)(H,43,44)/t21-,22-,23+,24-,25-,27+,29-,30-,32-,34+,35+,36+,37-/m1/s1 | | Synonyms: | MORINIAFUNGIN | | Definition date: | 2006-11-02 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2S,4R,5R,8R,9S,11R)-2-({[(2S,5R,6R,7R,9R,10R)-2-(7-carboxyheptyl)-6-hydroxy-10-methoxy-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]dec-7-yl]oxy}methyl)-9-formyl-5-methyl-13-(1-methylethyl)tetracyclo[7.4.0.0~2,11~.0~4,8~]tridec-12-ene-1-carboxylic acid (non-preferred name) |
|
 | | 356 | | Name: | 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d
ione | | Formula: | C25 H28 N8 O2 | | SMILES: | O=C2N(c1nc(n(c1C(=O)N2Cc4nc3ccccc3c(n4)C)CC#CC)N5CCCC(N)C5)C | | InChi: | InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1 | | Synonyms: | Linagliptin | | Definition date: | 2007-10-10 | | Last modified: | 2020-06-17 | | Identifier: | 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
|
 | | MP2 | | Name: | N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINE | | Formula: | C13 H16 N2 O5 S | | SMILES: | O=C(O)CNC(=O)C(NC(=O)OCc1ccccc1)CS | | InChi: | InChI=1S/C13H16N2O5S/c16-11(17)6-14-12(18)10(8-21)15-13(19)20-7-9-4-2-1-3-5-9/h1-5,10,21H,6-8H2,(H,14,18)(H,15,19)(H,16,17)/t10-/m0/s1 | | Synonyms: | N-CARBOBENZOXY-CYSTEINYL-GLYCINE | | Definition date: | 2006-02-02 | | Last modified: | 2020-06-17 | | Identifier: | N-[(benzyloxy)carbonyl]-L-cysteinylglycine |
|
 | | MP9 | | Name: | 2-AMINO-3-[3-HYDROXY-5-(2-BENZYL-2H-5-TETRAZOLYL)-4-ISOXAZOLYL]-PROPIONIC ACID | | Formula: | C14 H14 N6 O4 | | SMILES: | O=C(O)C(N)Cc1c(onc1O)c2nn(nn2)Cc3ccccc3 | | InChi: | InChI=1S/C14H14N6O4/c15-10(14(22)23)6-9-11(24-18-13(9)21)12-16-19-20(17-12)7-8-4-2-1-3-5-8/h1-5,10H,6-7,15H2,(H,18,21)(H,22,23)/t10-/m0/s1 | | Synonyms: | 3-[5-(2-BENZYL-2H-TETRAZOL-5-YL)-3-HYDROXYISOXAZOL-4-YL]-L-ALANINE | | Definition date: | 2007-04-13 | | Last modified: | 2020-06-17 | | Identifier: | 3-[5-(2-benzyl-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl]-L-alanine |
|
 | | 35I | | Name: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl
]prop-2-en-1-one | | Formula: | C27 H27 F3 N6 O3 | | SMILES: | FC(F)(F)CCC4c1c(cccc1)C=NN4C(=O)C=Cc2cc(cc(OC)c2OC)Cc3cnc(nc3N)N | | InChi: | InChI=1S/C27H27F3N6O3/c1-38-22-13-16(12-19-14-33-26(32)35-25(19)31)11-17(24(22)39-2)7-8-23(37)36-21(9-10-27(28,29)30)20-6-4-3-5-18(20)15-34-36/h3-8,11,13-15,21H,9-10,12H2,1-2H3,(H4,31,32,33,35)/b8-7+/t21-/m0/s1 | | Synonyms: | (S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl)pro
p-2-en-1-one | | Definition date: | 2012-04-17 | | Last modified: | 2020-06-17 | | Release date: | 2013-02-08 | | Identifier: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl]prop-2-en-1-one |
|
 | | MPJ | | Name: | (1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHINIC ACID | | Formula: | C4 H12 N O2 P S | | SMILES: | O=P(O)C(N)CCSC | | InChi: | InChI=1S/C4H12NO2PS/c1-9-3-2-4(5)8(6)7/h4,8H,2-3,5H2,1H3,(H,6,7)/t4-/m1/s1 | | Synonyms: | METHIONINE PHOSPHINATE | | Definition date: | 1999-07-28 | | Last modified: | 2020-06-17 | | Identifier: | (R)-[(1R)-1-amino-3-(methylsulfanyl)propyl]phosphinic acid |
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 | | MPZ | | Name: | 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]PHENYL}BENZAMIDE | | Formula: | C28 H29 N7 O | | SMILES: | O=C(Nc3cccc(Nc2nc(c1cccnc1)ccn2)c3)c4ccc(cc4)CN5CCN(CC5)C | | InChi: | InChI=1S/C28H29N7O/c1-34-14-16-35(17-15-34)20-21-7-9-22(10-8-21)27(36)31-24-5-2-6-25(18-24)32-28-30-13-11-26(33-28)23-4-3-12-29-19-23/h2-13,18-19H,14-17,20H2,1H3,(H,31,36)(H,30,32,33) | | Synonyms: | 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE | | Definition date: | 2004-12-08 | | Last modified: | 2020-06-17 | | Identifier: | 4-[(4-methylpiperazin-1-yl)methyl]-N-{3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide |
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 | | MQE | | Name: | 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1
4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione | | Formula: | C66 H96 O2 | | SMILES: | C(C(=CCC/C(C)=C/CCC(=CCCC(=CCC/C(C)=C/CC1=C(C(c2c(C1=O)cccc2)=O)C)C)C)C)C/C=C(/CCC=C(CC/C=C(/CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)C | | InChi: | InChI=1S/C66H96O2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)48-49-62-61(13)65(67)63-46-14-15-47-64(63)66(62)68/h14-15,26,28,30,32,34,36,38,40,42,44,46-48H,16-25,27,29,31,33,35,37,39,41,43,45,49H2,1-13H3/b51-28+,52-30+,53-32+,54-34+,55-36+,56-38+,57-40+,58-42+,59-44+,60-48+ | | Synonyms: | Menaquinone 11 | | Definition date: | 2018-02-02 | | Last modified: | 2020-06-17 | | Release date: | 2018-05-02 | | Identifier: | 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione |
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 | | 37A | | Name: | (1S,5S,7R)-N~7~-(BIPHENYL-4-YLMETHYL)-N~3~-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE | | Formula: | C20 H21 N3 O5 | | SMILES: | O=C(N4CC3OC(C(=O)NCc2ccc(c1ccccc1)cc2)C(O3)C4)NO | | InChi: | InChI=1S/C20H21N3O5/c24-19(18-16-11-23(20(25)22-26)12-17(27-16)28-18)21-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-18,26H,10-12H2,(H,21,24)(H,22,25)/t16-,17-,18+/m0/s1 | | Synonyms: | (1S,5S,7R)-3-AZA-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-3,7-DICARBOXYLIC ACID 7-[(BIPHENYL-4-YLMETHYL)-AMIDE]-3-HYDROXYAMIDE | | Definition date: | 2006-08-04 | | Last modified: | 2020-06-17 | | Identifier: | (1S,5S,7R)-N~7~-(biphenyl-4-ylmethyl)-N~3~-hydroxy-6,8-dioxa-3-azabicyclo[3.2.1]octane-3,7-dicarboxamide |
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