 | | D2V | | Name: | (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol | | Formula: | C28 H44 O | | SMILES: | OC3CC(=C/C=C1CCCC2(C)C(C(/C=C/C(C)C(C)C)C)CCC12)/C(=C)CC3 | | InChi: | InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1 | | Synonyms: | Vitamin D2 | | Definition date: | 2008-04-30 | | Last modified: | 2020-05-27 | | Identifier: | (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol |
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 | | D4M | | Name: | [(5R)-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-2,5-DIHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE | | Formula: | C10 H13 N2 O7 P | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C=C2)COP(=O)(O)O | | InChi: | InChI=1S/C10H13N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h2-4,7-8H,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1 | | Synonyms: | 2',3'-DIDEOXY-2',3-DIDEHYDROTHYMIDINE 5'-MONOPHOSPHATE | | Definition date: | 2005-05-10 | | Last modified: | 2020-05-27 | | Identifier: | [(2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate |
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 | | DF8 | | Name: | (2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | | Formula: | C10 H15 N7 O4 | | SMILES: | NNc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O | | InChi: | InChI=1S/C10H15N7O4/c11-7-4-8(14-2-13-7)17(10(15-4)16-12)9-6(20)5(19)3(1-18)21-9/h2-3,5-6,9,18-20H,1,12H2,(H,15,16)(H2,11,13,14)/t3-,5-,6-,9-/m1/s1 | | Synonyms: | NEOMYCIN A | | Definition date: | 2018-01-17 | | Last modified: | 2020-05-27 | | Release date: | 2019-01-30 | | Identifier: | (2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
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 | | MTI | | Name: | 3,4-DIHYDROXY-2-[(METHYLSULFANYL)METHYL]-5-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)PYRROLIDINIUM | | Formula: | C12 H17 N4 O3 S | | SMILES: | O=C1c2c(N=CN1)c(cn2)C3[NH2+]C(CSC)C(O)C3O | | InChi: | InChI=1S/C12H16N4O3S/c1-20-3-6-10(17)11(18)8(16-6)5-2-13-9-7(5)14-4-15-12(9)19/h2,4,6,8,10-11,13,16-18H,3H2,1H3,(H,14,15,19)/p+1/t6-,8+,10-,11+/m1/s1 | | Synonyms: | (1S)-1-(0-DEAZAHYPOXANTHIN-9-YL)-1,4-DIDEOXY-1,4-IMINO-5-METHYLTHIO-D-RIBITOL | | Definition date: | 2003-08-25 | | Last modified: | 2020-05-27 | | Identifier: | (2S,3R,4S,5S)-3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium |
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 | | HBB | | Name: | N-{(2R)-2-HYDROXY-2-[(8S,11S)-8-ISOPROPYL-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE | | Formula: | C30 H43 N3 O6 S | | SMILES: | O=S(=O)(c1ccccc1)N(CCC(C)C)CC(O)C3NC(=O)C(NC(=O)CCCOc2ccc(cc2)C3)C(C)C | | InChi: | InChI=1S/C30H43N3O6S/c1-21(2)16-17-33(40(37,38)25-9-6-5-7-10-25)20-27(34)26-19-23-12-14-24(15-13-23)39-18-8-11-28(35)32-29(22(3)4)30(36)31-26/h5-7,9-10,12-15,21-22,26-27,29,34H,8,11,16-20H2,1-4H3,(H,31,36)(H,32,35)/t26-,27+,29-/m0/s1 | | Synonyms: | N-[2-HYDROXY-2-(8-ISOPROPYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14-TRIEN-11-YL)-ETHYL]-N-(3-METHYL-BUTYL)-BENZENESULFONAMIDE | | Definition date: | 2005-03-07 | | Last modified: | 2020-05-27 | | Identifier: | N-{(2R)-2-hydroxy-2-[(8S,11S)-8-(1-methylethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]ethyl}-N-(3-methylbutyl)benzenesulfonamide |
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 | | HBH | | Name: | 2-[(8S,11S)-11-{(1R)-1-HYDROXY-2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-8-YL]ACETAMIDE | | Formula: | C29 H40 N4 O7 S | | SMILES: | O=S(=O)(c1ccccc1)N(CCC(C)C)CC(O)C3NC(=O)C(NC(=O)CCCOc2ccc(cc2)C3)CC(=O)N | | InChi: | InChI=1S/C29H40N4O7S/c1-20(2)14-15-33(41(38,39)23-7-4-3-5-8-23)19-26(34)24-17-21-10-12-22(13-11-21)40-16-6-9-28(36)31-25(18-27(30)35)29(37)32-24/h3-5,7-8,10-13,20,24-26,34H,6,9,14-19H2,1-2H3,(H2,30,35)(H,31,36)(H,32,37)/t24-,25-,26+/m0/s1 | | Synonyms: | 2-(11-{2-[BENZENESULFONYL-(3-METHYL-BUTYL)-AMINO]-1-HYDROXY-ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14-TRIEN-8-YL)-ACETAMIDE | | Definition date: | 2005-03-08 | | Last modified: | 2020-05-27 | | Identifier: | 2-[(8S,11S)-11-{(1R)-1-hydroxy-2-[(3-methylbutyl)(phenylsulfonyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamide |
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 | | HG9 | | Name: | 1-DEOXY-1-[(2-HYDROXYETHYL)(NONANOYL)AMINO]HEXITOL | | Formula: | C17 H35 N O7 | | SMILES: | O=C(N(CCO)CC(O)C(O)C(O)C(O)CO)CCCCCCCC | | InChi: | InChI=1S/C17H35NO7/c1-2-3-4-5-6-7-8-15(23)18(9-10-19)11-13(21)16(24)17(25)14(22)12-20/h13-14,16-17,19-22,24-25H,2-12H2,1H3/t13-,14+,16-,17+/m1/s1 | | Synonyms: | HG9A-9 | | Definition date: | 2004-03-23 | | Last modified: | 2020-05-27 | | Identifier: | 6-deoxy-6-[(2-hydroxyethyl)(nonanoyl)amino]-D-allitol |
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 | | NCG | | Name: | [(R)-4-((1,3-DIOXOLANE-2-OXY)-4-(S)-YL)-4-HYDROXY]-(R)-10-(2-METHYLAMINO-5-METHYL-2,6-DIDEOXYGALACTOPYRANOSYL-OXY)-(R)-11-(2-HYDROXY-5-METHYL-7-METHOXY-1-NAPHTHOYL-OXY)-(R)-12-S-GLUTATHIONYL-4,10,11,12-TETRAHYDROINDACENE | | Formula: | C45 H52 N4 O18 S | | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC7c3cc1c(C=CC1(O)C2OC(=O)OC2)cc3C(OC4OC(C(O)C(O)C4NC)C)C7OC(=O)c6c5cc(OC)cc(c5ccc6O)C | | InChi: | InChI=1S/C45H52N4O18S/c1-18-11-21(62-4)13-23-22(18)5-7-29(50)33(23)42(59)66-38-37(67-43-34(47-3)36(55)35(54)19(2)64-43)24-12-20-9-10-45(61,30-16-63-44(60)65-30)26(20)14-25(24)39(38)68-17-28(40(56)48-15-32(52)53)49-31(51)8-6-27(46)41(57)58/h5,7,9-14,19,27-28,30,34-39,43,47,50,54-55,61H,6,8,15-17,46H2,1-4H3,(H,48,56)(H,49,51)(H,52,53)(H,57,58)/t19-,27-,28+,30-,34-,35+,36-,37-,38+,39+,43-,45-/m1/s1 | | Synonyms: | NCSI-GLU | | Definition date: | 2002-09-26 | | Last modified: | 2020-05-27 | | Identifier: | D-gamma-glutamyl-S-{(1S,2S,3R,7R)-3-{[2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranosyl]oxy}-7-hydroxy-2-{[(2-hydroxy-7-methoxy-5-methylnaphthalen-1-yl)carbonyl]oxy}-7-[(4R)-2-oxo-1,3-dioxolan-4-yl]-1,2,3,7-tetrahydro-s-indacen-1-yl}-L-cysteinylglycine |
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 | | NCT | | Name: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | | Formula: | C10 H14 N2 | | SMILES: | n1cc(ccc1)C2N(C)CCC2 | | InChi: | InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | | Synonyms: | (S)-(-)-NICOTINE | | Definition date: | 2003-04-21 | | Last modified: | 2020-05-27 | | Identifier: | 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine |
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 | | NCV | | Name: | N-Methyl-6-(1,3-dihydroxy-isobutyl)thymine | | Formula: | C10 H16 N2 O4 | | SMILES: | O=C1C(=C(N(C(=O)N1)C)CC(CO)CO)C | | InChi: | InChI=1S/C10H16N2O4/c1-6-8(3-7(4-13)5-14)12(2)10(16)11-9(6)15/h7,13-14H,3-5H2,1-2H3,(H,11,15,16) | | Synonyms: | 6-[3-hydroxy-2-(hydroxymethyl)propyl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione | | Definition date: | 2008-10-29 | | Last modified: | 2020-05-27 | | Identifier: | 6-[3-hydroxy-2-(hydroxymethyl)propyl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione |
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 | | NEX | | Name: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL | | Formula: | C40 H56 O4 | | SMILES: | OC3CC(C(=C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(C=CC12OC2(C)CC(O)CC1(C)C)C)C)C)C)C(O)(C)C3)(C)C | | InChi: | InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20-/t22-,33-,34-,38+,39+,40-/m0/s1 | | Synonyms: | (3S,5R,6R,3'S,5'R,6'S)-5',6'-EPOXY-6,7-DIDEHYDRO- 5,6,5',6'-TETRAHYDRO-BETA,BETA-CAROTENE-3,5,3'-TRIOL | | Definition date: | 2003-12-22 | | Last modified: | 2020-05-27 | | Identifier: | (3S,3'S,5R,5'R,6R,6'S,8R,9'cis)-6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene-3,3',5-triol |
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 | | NJV | | Name: | 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide | | Formula: | C24 H24 F N7 O | | SMILES: | c3(cc(c(n2cc(C1CC1)nc2)cc3C(Nc4nc(ccc4)c5n(cnn5)C(C)C)=O)C)F | | InChi: | InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33) | | Synonyms: | Selonsertib | | Definition date: | 2019-05-15 | | Last modified: | 2020-05-27 | | Release date: | 2019-11-27 | | Identifier: | 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide |
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 | | NLT | | Name: | N-DODECANOYL-L-TYROSINE | | Formula: | C21 H33 N O4 | | SMILES: | O=C(O)C(NC(=O)CCCCCCCCCCC)Cc1ccc(O)cc1 | | InChi: | InChI=1S/C21H33NO4/c1-2-3-4-5-6-7-8-9-10-11-20(24)22-19(21(25)26)16-17-12-14-18(23)15-13-17/h12-15,19,23H,2-11,16H2,1H3,(H,22,24)(H,25,26)/t19-/m0/s1 | | Synonyms: | (S)-N-(DODECANOYL)-2-AMINO-3-(4-HYDROXYPHENYL)-PROPANOIC ACID | | Definition date: | 2005-01-12 | | Last modified: | 2020-05-27 | | Identifier: | N-dodecanoyl-L-tyrosine |
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 | | 2RT | | Name: | 4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile | | Formula: | C19 H18 N6 | | SMILES: | N#Cc1ccc(cc1)Nc2ncnc(n2)Nc3c(cc(cc3C)C)C | | InChi: | InChI=1S/C19H18N6/c1-12-8-13(2)17(14(3)9-12)24-19-22-11-21-18(25-19)23-16-6-4-15(10-20)5-7-16/h4-9,11H,1-3H3,(H2,21,22,23,24,25) | | Definition date: | 2014-01-14 | | Last modified: | 2020-05-27 | | Release date: | 2014-11-05 | | Identifier: | 4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile |
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 | | LLT | | Name: | L-deoxythymidine | | Formula: | C10 H14 N2 O5 | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CO | | InChi: | InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1 | | Synonyms: | L-thymidine | | Definition date: | 2009-06-04 | | Last modified: | 2020-05-27 | | Identifier: | 1-(2-deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione |
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 | | 32Z | | Name: | 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2H)-one | | Formula: | C18 H26 N2 O2 | | SMILES: | O=C3c2cccc(OCCCCN1CCCCC1)c2CCN3 | | InChi: | InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21) | | Definition date: | 2014-06-05 | | Last modified: | 2020-05-27 | | Release date: | 2014-11-05 | | Identifier: | 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2H)-one |
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 | | LUT | | Name: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL | | Formula: | C40 H56 O2 | | SMILES: | OC2CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1C(=CC(O)CC1(C)C)C)C)C)C)C)C(C)(C)C2)C | | InChi: | InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-/m0/s1 | | Synonyms: | (3R,3'R)-BETA,BETA-CAROTENE-3,3'-DIOL | | Definition date: | 2003-12-22 | | Last modified: | 2020-05-27 | | Identifier: | (3R,3'S,6R)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol |
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 | | LUZ | | Name: | pteridine-2,4(1H,3H)-dione | | Formula: | C6 H4 N4 O2 | | SMILES: | O=C2c1nccnc1NC(=O)N2 | | InChi: | InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12) | | Synonyms: | Lumazine | | Definition date: | 2008-10-14 | | Last modified: | 2020-05-27 | | Identifier: | pteridine-2,4(1H,3H)-dione |
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 | | LVG | | Name: | L-VINYLGLYCINE | | Formula: | C4 H7 N O2 | | SMILES: | O=C(O)C(C=C)N | | InChi: | InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2-3H,1,5H2,(H,6,7)/t3-/m0/s1 | | Synonyms: | (2S)-2-AMINO-3-BUTENOIC ACID | | Definition date: | 2004-05-27 | | Last modified: | 2020-05-27 | | Identifier: | (2S)-2-aminobut-3-enoic acid |
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 | | EQ3 | | Name: | (3'R)-3'-hydroxy-beta,beta-caroten-4-one | | Formula: | C40 H54 O2 | | SMILES: | CC1(CC(O)CC(C)=C1[C@H]=[C@H]C(C)=[C@H][C@H]=[C@H]C(C)=[C@H][C@H]=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[C@H]C=2C(CCC(C=2C)=O)(C)C)C | | InChi: | InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-36-33(5)27-35(41)28-40(36,9)10)15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)38(42)25-26-39(37,7)8/h11-24,35,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-/m1/s1 | | Synonyms: | 3'-Hydroxyechinenone | | Definition date: | 2016-12-19 | | Last modified: | 2020-05-27 | | Release date: | 2017-01-18 | | Identifier: | (3'R)-3'-hydroxy-beta,beta-caroten-4-one |
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 | | ERU | | Name: | (13Z)-docos-13-enamide | | Formula: | C22 H43 N O | | SMILES: | O=C(N)CCCCCCCCCCCC=C/CCCCCCCC | | InChi: | InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9- | | Synonyms: | Erucamide | | Definition date: | 2009-06-09 | | Last modified: | 2020-05-27 | | Identifier: | (13Z)-docos-13-enamide |
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 | | EXM | | Name: | (8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione | | Formula: | C20 H24 O2 | | SMILES: | O=C2C=C1C(=C)CC3C(C1(C=C2)C)CCC4(C(=O)CCC34)C | | InChi: | InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1 | | Synonyms: | Exemestane | | Definition date: | 2011-06-06 | | Last modified: | 2020-05-27 | | Identifier: | (8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione |
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 | | OSC | | Name: | (2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO)METHYL]-2,5-DIHYDRO-1H-PYRROL-3-YL}ETHYL)-6-HYDROXY-1-{N-[(2S)-2-HYDROXY-3-PHENYLPROPANOYL]PHENYLALANYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE | | Formula: | C34 H44 N6 O5 | | SMILES: | O=C(NC(C(=O)N1C3CC(O)CCC3CC1C(=O)NCCC2=CCN(C(=[N@H])N)C2)Cc4ccccc4)C(O)Cc5ccccc5 | | InChi: | InChI=1S/C34H44N6O5/c35-34(36)39-16-14-24(21-39)13-15-37-31(43)29-19-25-11-12-26(41)20-28(25)40(29)33(45)27(17-22-7-3-1-4-8-22)38-32(44)30(42)18-23-9-5-2-6-10-23/h1-10,14,25-30,41-42H,11-13,15-21H2,(H3,35,36)(H,37,43)(H,38,44)/t25-,26+,27+,28-,29-,30+/m0/s1 | | Synonyms: | OSCILLARIN | | Definition date: | 2004-01-14 | | Last modified: | 2020-05-27 | | Identifier: | (2S,3aS,6R,7aS)-N-[2-(1-carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)ethyl]-6-hydroxy-1-[(2R)-2-{[(2R)-2-hydroxy-3-phenylpropanoyl]amino}-3-phenylpropanoyl]octahydro-1H-indole-2-carboxamide (non-preferred name) |
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 | | P1A | | Name: | 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE | | Formula: | C27 H44 O6 | | SMILES: | O=C1C=C3C(C2(CC(O)C(O)CC12)C)CCC4(C)C(C(O)(C)C(O)CCC(C)C)CCC34O | | InChi: | InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1 | | Synonyms: | PONASTERONE A | | Definition date: | 2003-09-25 | | Last modified: | 2020-05-27 | | Identifier: | (2alpha,3alpha,5alpha,22R)-2,3,14,20,22-pentahydroxycholest-7-en-6-one |
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 | | P30 | | Name: | 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea | | Formula: | C29 H32 N6 O4 S | | SMILES: | O=C(Nc1noc(c1)C(C)(C)C)Nc6ccc(c4nc5sc3c(ccc(OCCN2CCOCC2)c3)n5c4)cc6 | | InChi: | InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36) | | Synonyms: | Quizartinib | | Definition date: | 2014-11-14 | | Last modified: | 2020-05-27 | | Release date: | 2015-04-15 | | Identifier: | 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea |
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