 | | NIG | | Name: | N-(IMINOMETHYL)-L-GLUTAMIC ACID | | Formula: | C6 H10 N2 O4 | | SMILES: | O=C(O)CCC(NC=[N@H])C(=O)O | | InChi: | InChI=1S/C6H10N2O4/c7-3-8-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 | | Synonyms: | N-FORMIMINO-L-GLUTAMATE | | Definition date: | 2007-05-10 | | Last modified: | 2020-06-17 | | Identifier: | N-[(Z)-iminomethyl]-L-glutamic acid |
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 | | OCB | | Name: | OCTANOYLCARNITINE | | Formula: | C15 H30 N O4 | | SMILES: | O=C(O)CC(OC(=O)CCCCCCC)C[N+](C)(C)C | | InChi: | InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/p+1/t13-/m1/s1 | | Synonyms: | 3-CARBOXY-N,N,N-TRIMETHYL-2-(OCTANOYLOXY)PROPAN-1-AMINIUM | | Definition date: | 2004-10-12 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-carboxy-N,N,N-trimethyl-2-(octanoyloxy)propan-1-aminium |
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 | | SSR | | Name: | 2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol | | Formula: | C28 H28 F N3 O2 | | SMILES: | O=C(c3c1c(c(O)ccc1n(c2ccccc2)c3Cc4cccc(F)c4C)C)N5CCNCC5 | | InChi: | InChI=1S/C28H28FN3O2/c1-18-20(7-6-10-22(18)29)17-24-27(28(34)31-15-13-30-14-16-31)26-19(2)25(33)12-11-23(26)32(24)21-8-4-3-5-9-21/h3-12,30,33H,13-17H2,1-2H3 | | Synonyms: | [2-(3-Fluoro-2-methyl-benzyl)-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl]-piperazin-1-yl-methanone | | Definition date: | 2010-09-01 | | Last modified: | 2020-06-17 | | Identifier: | [2-(3-fluoro-2-methylbenzyl)-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl](piperazin-1-yl)methanone |
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 | | NIH | | Name: | 2-{[3,5-BIS(TRIFLUOROMETHYL)BENZYL]AMINO}-N-HYDROXY-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBOXAMIDE | | Formula: | C14 H10 F6 N4 O3 | | SMILES: | FC(F)(F)c1cc(cc(c1)C(F)(F)F)CNC2=NC=C(C(=O)N2)C(=O)NO | | InChi: | InChI=1S/C14H10F6N4O3/c15-13(16,17)7-1-6(2-8(3-7)14(18,19)20)4-21-12-22-5-9(10(25)23-12)11(26)24-27/h1-3,5,27H,4H2,(H,24,26)(H2,21,22,23,25) | | Synonyms: | AZ12194344 | | Definition date: | 2005-10-17 | | Last modified: | 2020-06-17 | | Release date: | 2013-11-13 | | Identifier: | 2-{[3,5-bis(trifluoromethyl)benzyl]amino}-N-hydroxy-6-oxo-1,6-dihydropyrimidine-5-carboxamide |
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 | | ZGA | | Name: | Zaragozic acid A | | Formula: | C35 H46 O14 | | SMILES: | O=C(O)C1(O)C(OC2(OC1(C(=O)O)C(OC(=O)/C=C/C(C)CC(C)CC)C2O)CCC(=C)C(OC(=O)C)C(C)Cc3ccccc3)C(=O)O | | InChi: | InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1 | | Synonyms: | (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-methyl-3-methylidene-6-phenylhexyl]-6-{[(2E,4S,6S)-4,6-dimethyloct-2-eno
yl]oxy}-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid | | Definition date: | 2011-10-27 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-methyl-3-methylidene-6-phenylhexyl]-6-{[(2E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy}-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid (non-preferred name) |
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 | | SST | | Name: | L-arabinitol | | Formula: | C5 H12 O5 | | SMILES: | OC(CO)C(O)C(O)CO | | InChi: | InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1 | | Synonyms: | (2S,4S)-pentane-1,2,3,4,5-pentol | | Definition date: | 2014-09-02 | | Last modified: | 2020-06-17 | | Release date: | 2015-08-12 | | Identifier: | L-arabinitol |
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 | | SSU | | Name: | URIDINE-5'-PHOSPHOROTHIOATE | | Formula: | C9 H13 N2 O8 P S | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=S)(O)O | | InChi: | InChI=1S/C9H13N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | SP-SULFUR-SUBSTITUTED URIDINE | | Definition date: | 2003-04-09 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-thiophosphonouridine |
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 | | PZH | | Name: | 1-(4-BROMOPHENYL)METHANAMINE | | Formula: | C7 H8 Br N | | SMILES: | Brc1ccc(cc1)CN | | InChi: | InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2 | | Synonyms: | 4-BROMOBENZYLAMINE | | Definition date: | 2006-07-21 | | Last modified: | 2020-06-17 | | Release date: | 2014-03-19 | | Identifier: | 1-(4-bromophenyl)methanamine |
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 | | U10 | | Name: | UBIQUINONE-10 | | Formula: | C59 H90 O4 | | SMILES: | O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C | | InChi: | InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+ | | Synonyms: | Coenzyme Q10 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione |
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 | | NIM | | Name: | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE | | Formula: | C13 H12 N2 O5 S | | SMILES: | [O-][N+](=O)c2cc(Oc1ccccc1)c(cc2)NS(=O)(=O)C | | InChi: | InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3 | | Synonyms: | NIMESULIDE | | Definition date: | 2005-06-20 | | Last modified: | 2020-06-17 | | Identifier: | N-(4-nitro-2-phenoxyphenyl)methanesulfonamide |
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 | | TMH | | Name: | (+)-alpha-Pinene | | Formula: | C10 H16 | | SMILES: | C1(=CCC2CC1C2(C)C)C | | InChi: | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1 | | Synonyms: | (+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE | | Definition date: | 2002-09-26 | | Last modified: | 2020-06-17 | | Identifier: | (1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene |
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 | | U11 | | Name: | METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE | | Formula: | C16 H20 F3 N3 O5 | | SMILES: | FC(F)(F)c1ccc(cc1)C(N)C(O)C(=O)NC(C(=O)NCC(=O)OC)C | | InChi: | InChI=1S/C16H20F3N3O5/c1-8(14(25)21-7-11(23)27-2)22-15(26)13(24)12(20)9-3-5-10(6-4-9)16(17,18)19/h3-6,8,12-13,24H,7,20H2,1-2H3,(H,21,25)(H,22,26)/t8-,12+,13-/m0/s1 | | Synonyms: | {2-[3-AMINO-2-HYDROXY-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONYLAMINO]-PROPIONYLAMINO}-ACETIC ACID METHYL ESTER | | Definition date: | 2006-04-03 | | Last modified: | 2020-06-17 | | Identifier: | methyl N-{(2S,3R)-3-amino-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl}-L-alanylglycinate |
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 | | TMI | | Name: | 1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLE | | Formula: | C22 H18 N2 | | SMILES: | n1ccn(c1)C(c3ccc(c2ccccc2)cc3)c4ccccc4 | | InChi: | InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H/t22-/m0/s1 | | Synonyms: | BIFONAZOLE | | Definition date: | 2005-10-27 | | Last modified: | 2020-06-17 | | Identifier: | 1-[(S)-biphenyl-4-yl(phenyl)methyl]-1H-imidazole |
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 | | U15 | | Name: | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-METHYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE | | Formula: | C20 H31 N3 O5 | | SMILES: | O=C(OC)C(NC(=O)C(NC(=O)C(O)C(N)c1ccc(cc1)C)C)CC(C)C | | InChi: | InChI=1S/C20H31N3O5/c1-11(2)10-15(20(27)28-5)23-18(25)13(4)22-19(26)17(24)16(21)14-8-6-12(3)7-9-14/h6-9,11,13,15-17,24H,10,21H2,1-5H3,(H,22,26)(H,23,25)/t13-,15+,16+,17-/m0/s1 | | Synonyms: | 2-[2-(3-AMINO-2-HYDROXY-3-P-TOLYL-PROPIONYLAMINO)-PROPIONYLAMINO]-4-METHYL-PENTANOIC ACID METHYL ESTER | | Definition date: | 2006-04-03 | | Last modified: | 2020-06-17 | | Identifier: | methyl N-[(2S,3R)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoyl]-L-alanyl-D-leucinate |
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 | | W11 | | Name: | 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE | | Formula: | C18 H18 F3 N3 O3 | | SMILES: | FC(F)(F)c1nc(no1)c3cc(c(OCCCc2onc(c2)C)c(c3)C)C | | InChi: | InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3 | | Synonyms: | WIN63843 | | Definition date: | 2000-06-15 | | Last modified: | 2020-06-17 | | Identifier: | 3-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-5-(trifluoromethyl)-1,2,4-oxadiazole |
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 | | U17 | | Name: | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-L-SERYL-L-LEUCINATE | | Formula: | C17 H33 N3 O6 | | SMILES: | O=C(NC(C(=O)OC)CC(C)C)C(NC(=O)C(O)C(N)CCCC)CO | | InChi: | InChI=1S/C17H33N3O6/c1-5-6-7-11(18)14(22)16(24)20-13(9-21)15(23)19-12(8-10(2)3)17(25)26-4/h10-14,21-22H,5-9,18H2,1-4H3,(H,19,23)(H,20,24)/t11-,12+,13+,14+/m1/s1 | | Synonyms: | 2-[2-(3-AMINO-2-HYDROXY-HEPTANOYLAMINO)-3-HYDROXY-PROPIONYLAMINO]-4-METHYL-PENTANOIC ACID METHYL ESTER | | Definition date: | 2006-04-03 | | Last modified: | 2020-06-17 | | Identifier: | methyl N-[(2S,3R)-3-amino-2-hydroxyheptanoyl]-L-seryl-L-leucinate |
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 | | B14 | | Name: | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE | | Formula: | C19 H16 F2 N6 O | | SMILES: | N#Cc1ncc(cc1)C(=O)N4CCC3(N=C(c2c(c(F)ccc2F)N3)N)CC4 | | InChi: | InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26) | | Synonyms: | AR-C102222 | | Definition date: | 2005-10-03 | | Last modified: | 2020-06-17 | | Identifier: | 5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidine-4,2'-quinazolin]-1-yl)carbonyl]pyridine-2-carbonitrile |
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 | | 3GO | | Name: | 4-[[(2R,3S,4R,5R)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitri
le | | Formula: | C28 H26 N8 O4 | | SMILES: | N#Cc1ccc(cc1)COCC6OC(n3c(nc2c(ncnc23)N)NCc5cc4cccnc4cc5)C(O)C6O | | InChi: | InChI=1S/C28H26N8O4/c29-11-16-3-5-17(6-4-16)13-39-14-21-23(37)24(38)27(40-21)36-26-22(25(30)33-15-34-26)35-28(36)32-12-18-7-8-20-19(10-18)2-1-9-31-20/h1-10,15,21,23-24,27,37-38H,12-14H2,(H,32,35)(H2,30,33,34)/t21-,23-,24-,27-/m1/s1 | | Synonyms: | 5'-O-(4-cyanobenzyl)-8-[(quinolin-6-ylmethyl)amino]adenosine | | Definition date: | 2009-01-28 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-(4-cyanobenzyl)-8-[(quinolin-6-ylmethyl)amino]adenosine |
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 | | NIW | | Name: | 2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate | | Formula: | C21 H24 N2 O7 | | SMILES: | O=C(c1c(c(c(nc1C)C)C(OC(C)C)=O)c2cc([N+]([O-])=O)ccc2)OCCOC | | InChi: | InChI=1S/C21H24N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12H,9-10H2,1-5H3 | | Synonyms: | Nimodipine M (dehydro) | | Definition date: | 2017-12-12 | | Last modified: | 2020-06-17 | | Release date: | 2019-03-13 | | Identifier: | 2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate |
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 | | YTZ | | Name: | 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide | | Formula: | C9 H9 N3 O2 S2 | | SMILES: | O=S(=O)(Nc1nccs1)c2ccc(N)cc2 | | InChi: | InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12) | | Synonyms: | Sulfathiazole | | Definition date: | 2011-10-14 | | Last modified: | 2020-06-17 | | Identifier: | 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide |
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 | | ZXI | | Name: | 1-(4-iodophenyl)methanamine | | Formula: | C7 H8 I N | | SMILES: | C(c1ccc(cc1)I)N | | InChi: | InChI=1S/C7H8IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2 | | Synonyms: | 4-Iodobenzylamine | | Definition date: | 2017-12-28 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-26 | | Identifier: | 1-(4-iodophenyl)methanamine |
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 | | OCV | | Name: | N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE | | Formula: | C14 H24 N2 O7 S | | SMILES: | O=C(OC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CS | | InChi: | InChI=1S/C14H24N2O7S/c1-7(2)11(13(20)21)23-14(22)9(6-24)16-10(17)5-3-4-8(15)12(18)19/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/t8-,9-,11+/m0/s1 | | Synonyms: | L-D-(A-AMINOADIPOYL)-L-CYSTEINE D-A-HYDROXYISOVALERYL ESTER | | Definition date: | 2001-04-12 | | Last modified: | 2020-06-17 | | Identifier: | N~6~-[(1R)-2-{[(1R)-1-carboxy-2-methylpropyl]oxy}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine |
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 | | PLA | | Name: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID | | Formula: | C13 H19 N2 O9 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)(C)CC(=O)O | | InChi: | InChI=1S/C13H19N2O9P/c1-7-11(18)9(8(4-14-7)6-24-25(21,22)23)5-15-13(2,12(19)20)3-10(16)17/h4,15,18H,3,5-6H2,1-2H3,(H,16,17)(H,19,20)(H2,21,22,23)/t13-/m0/s1 | | Synonyms: | N-PYRIDOXYL-2-METHYLASPARTIC ACID-5-MONOPHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-2-methyl-L-aspartic acid |
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 | | B1C | | Name: | N-(tert-butoxycarbonyl)-L-tyrosine | | Formula: | C14 H19 N O5 | | SMILES: | O=C(NC(Cc1ccc(cc1)O)C(O)=O)OC(C)(C)C | | InChi: | InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1 | | Synonyms: | BOC-TYR | | Definition date: | 2016-11-14 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-30 | | Identifier: | N-(tert-butoxycarbonyl)-L-tyrosine |
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 | | P6W | | Name: | pentanediamide | | Formula: | C5 H10 N2 O2 | | SMILES: | NC(=O)CCCC(N)=O | | InChi: | InChI=1S/C5H10N2O2/c6-4(8)2-1-3-5(7)9/h1-3H2,(H2,6,8)(H2,7,9) | | Synonyms: | Glutaramide | | Definition date: | 2020-04-16 | | Last modified: | 2020-06-17 | | Release date: | 2020-06-03 | | Identifier: | pentanediamide |
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