 | | 75U | | Name: | ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate | | Formula: | C22 H25 Br N2 O3 S | | SMILES: | c1(CN(C)C)c(O)c(cc2c1c(C(OCC)=O)c(n2C)CSc3ccccc3)Br | | InChi: | InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3 | | Synonyms: | Arbidol | | Definition date: | 2016-09-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-01-04 | | Identifier: | ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate |
|
 | | EFZ | | Name: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE | | Formula: | C14 H9 Cl F3 N O2 | | SMILES: | FC(F)(F)C3(C#CC1CC1)OC(=O)Nc2c3cc(Cl)cc2 | | InChi: | InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1 | | Synonyms: | DMP-266 | | Definition date: | 2000-08-15 | | Last modified: | 2020-06-17 | | Identifier: | (4S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one |
|
 | | 762 | | Name: | 3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE | | Formula: | C20 H15 Cl N4 O | | SMILES: | [O-]c4c(c1ccccc1)cccc4c3nc2cc(c(Cl)cc2n3)C(=[NH2+])N | | InChi: | InChI=1S/C20H15ClN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25) | | Synonyms: | CRA_10762 | | Definition date: | 2003-03-14 | | Last modified: | 2020-06-17 | | Identifier: | 3-{5-[amino(iminio)methyl]-6-chloro-1H-benzimidazol-2-yl}biphenyl-2-olate |
|
 | | 766 | | Name: | 5-(4-fluorophenyl)-2,3-dihydroxy-N-(4-thieno[3,2-c]pyridin-2-ylbutyl)benzamide | | Formula: | C24 H21 F N2 O3 S | | SMILES: | N(CCCCc1sc2c(c1)cncc2)C(c3c(c(cc(c3)c4ccc(cc4)F)O)O)=O | | InChi: | InChI=1S/C24H21FN2O3S/c25-18-6-4-15(5-7-18)16-12-20(23(29)21(28)13-16)24(30)27-9-2-1-3-19-11-17-14-26-10-8-22(17)31-19/h4-8,10-14,28-29H,1-3,9H2,(H,27,30) | | Synonyms: | 4'-fluoro-4,5-dihydroxy-N-[4-(thieno[3,2-c]pyridin-2-yl)butyl][1,1'-biphenyl]-3-carboxamide | | Definition date: | 2016-09-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-08-30 | | Identifier: | 4'-fluoro-4,5-dihydroxy-N-[4-(thieno[3,2-c]pyridin-2-yl)butyl][1,1'-biphenyl]-3-carboxamide |
|
 | | EGC | | Name: | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX
Y}-ETHOXY)-ETHANOL | | Formula: | C32 H58 O10 | | SMILES: | O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCO | | InChi: | InChI=1S/C32H58O10/c1-31(2,3)28-32(4,5)29-6-8-30(9-7-29)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33/h6-9,33H,10-28H2,1-5H3 | | Synonyms: | TRITON X-100 | | Definition date: | 2001-08-02 | | Last modified: | 2020-06-17 | | Identifier: | 26-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol |
|
 | | 76A | | Name: | 3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL)-1,4-DIHYDROINDENO[1,2-C]PYRAZOLE-6-CARBOXAMIDE | | Formula: | C29 H27 N3 O3 | | SMILES: | O=C(NC1CCC(O)CC1)c2cc6c(cc2)c3c(c(nn3)c5ccc(c4ccc(O)cc4)cc5)C6 | | InChi: | InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24- | | Synonyms: | 3-(4'-HYDROXY-BIPHENYL-4-YL)-1,4-DIHYDRO-INDENO[1,2-C]PYRAZOLE-6-CARBOXYLIC ACID (4-HYDROXY-CYCLOHEXYL)-AMIDE | | Definition date: | 2007-01-31 | | Last modified: | 2020-06-17 | | Identifier: | 3-(4'-hydroxybiphenyl-4-yl)-N-(trans-4-hydroxycyclohexyl)-1,4-dihydroindeno[1,2-c]pyrazole-6-carboxamide |
|
 | | 76D | | Name: | 2,4,6-tri(propan-2-yl)benzoic acid | | Formula: | C16 H24 O2 | | SMILES: | O=C(O)c1c(cc(cc1C(C)C)C(C)C)C(C)C | | InChi: | InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18) | | Synonyms: | 2,4,6-triisopropylbenzoic acid | | Definition date: | 2013-12-13 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-19 | | Identifier: | 2,4,6-tri(propan-2-yl)benzoic acid |
|
 | | 76T | | Name: | 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide | | Formula: | C28 H23 F N4 O3 | | SMILES: | C(NCc3cc(CNc2cc1c(nnc1)cc2)ccc3)(c4c(c(O)cc(c4)c5ccc(cc5)F)O)=O | | InChi: | InChI=1S/C28H23FN4O3/c29-22-6-4-19(5-7-22)20-12-24(27(35)26(34)13-20)28(36)31-15-18-3-1-2-17(10-18)14-30-23-8-9-25-21(11-23)16-32-33-25/h1-13,16,30,34-35H,14-15H2,(H,31,36)(H,32,33) | | Synonyms: | 4'-fluoro-4,5-dihydroxy-N-[(3-{[(1H-indazol-5-yl)amino]methyl}phenyl)methyl][1,1'-biphenyl]-3-carboxamide | | Definition date: | 2016-09-07 | | Last modified: | 2020-06-17 | | Release date: | 2017-08-30 | | Identifier: | 4'-fluoro-4,5-dihydroxy-N-[(3-{[(1H-indazol-5-yl)amino]methyl}phenyl)methyl][1,1'-biphenyl]-3-carboxamide |
|
 | | 772 | | Name: | 2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE | | Formula: | C10 H7 N2 O4 P | | SMILES: | O=P(O)(O)Oc1cccc2ccc(C#N)nc12 | | InChi: | InChI=1S/C10H7N2O4P/c11-6-8-5-4-7-2-1-3-9(10(7)12-8)16-17(13,14)15/h1-5H,(H2,13,14,15) | | Synonyms: | RU79072 | | Definition date: | 2003-06-20 | | Last modified: | 2020-06-17 | | Identifier: | 2-cyanoquinolin-8-yl dihydrogen phosphate |
|
 | | EHA | | Name: | (5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-1H-INDOL-1-YL)ACETIC ACID | | Formula: | C33 H31 N O5 | | SMILES: | O=C(c1ccccc1)c5cc4ccc(OCCCOc2cc3c(cc2)n(cc3)CC(=O)O)c(c4cc5)CCC | | InChi: | InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)39-19-6-18-38-27-12-14-30-25(21-27)16-17-34(30)22-32(35)36/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36) | | Synonyms: | 2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID | | Definition date: | 2005-11-29 | | Last modified: | 2020-06-17 | | Identifier: | [5-(3-{[6-(phenylcarbonyl)-1-propylnaphthalen-2-yl]oxy}propoxy)-1H-indol-1-yl]acetic acid |
|
 | | EHM | | Name: | (2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE | | Formula: | C4 H9 N O5 | | SMILES: | O=C(NO)C(O)C(O)CO | | InChi: | InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1 | | Synonyms: | D-ERYTHRONOHYDROXAMATE | | Definition date: | 2006-08-04 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R)-N,2,3,4-tetrahydroxybutanamide |
|
 | | 781 | | Name: | N-(5-hydroxynaphthalen-2-yl)propanamide | | Formula: | C13 H13 N O2 | | SMILES: | O=C(Nc2cc1cccc(O)c1cc2)CC | | InChi: | InChI=1S/C13H13NO2/c1-2-13(16)14-10-6-7-11-9(8-10)4-3-5-12(11)15/h3-8,15H,2H2,1H3,(H,14,16) | | Synonyms: | N-(5-hydroxynaphthalen-2-yl)prop-2-enamide, bound form | | Definition date: | 2015-03-23 | | Last modified: | 2020-06-17 | | Release date: | 2015-08-12 | | Identifier: | N-(5-hydroxynaphthalen-2-yl)propanamide |
|
 | | EIC | | Name: | LINOLEIC ACID | | Formula: | C18 H32 O2 | | SMILES: | O=C(O)CCCCCCCC=C/CC=C/CCCCC | | InChi: | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- | | Synonyms: | 9,12-LINOLEIC ACID | | Definition date: | 2001-04-20 | | Last modified: | 2020-06-17 | | Identifier: | (9Z,12Z)-octadeca-9,12-dienoic acid |
|
 | | EJZ | | Name: | 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C5 H3 N3 O6 | | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)[N+]([O-])=O | | InChi: | InChI=1S/C5H3N3O6/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3/h(H,10,11)(H2,6,7,9,12) | | Synonyms: | 5 Nitroorotic Acid | | Definition date: | 2010-04-12 | | Last modified: | 2020-06-17 | | Identifier: | 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
|
 | | EL3 | | Name: | (3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene | | Formula: | C15 H24 | | SMILES: | C3(=C1CCC(C12CCC(C2)C3(C)C)C)C | | InChi: | InChI=1S/C15H24/c1-10-5-6-13-11(2)14(3,4)12-7-8-15(10,13)9-12/h10,12H,5-9H2,1-4H3/t10-,12-,15+/m0/s1 | | Synonyms: | 2,2,3,7R-tetramethyl-1R,8S-tricyclo-[6.2.1.0(4,8)]undec-3-en | | Definition date: | 2008-09-22 | | Last modified: | 2020-06-17 | | Identifier: | (3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene |
|
 | | ELB | | Name: | 4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide | | Formula: | C19 H20 I N5 O2 | | SMILES: | Nc1cccc2N(C3CCN(CC3)C(=O)Nc4ccc(I)cc4)C(=O)Nc12 | | InChi: | InChI=1S/C19H20IN5O2/c20-12-4-6-13(7-5-12)22-18(26)24-10-8-14(9-11-24)25-16-3-1-2-15(21)17(16)23-19(25)27/h1-7,14H,8-11,21H2,(H,22,26)(H,23,27) | | Synonyms: | TH5675 | | Definition date: | 2018-03-26 | | Last modified: | 2020-06-17 | | Release date: | 2018-11-28 | | Identifier: | 4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide |
|
 | | ELG | | Name: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(3-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)te
trahydro-2H-pyran-2-yl]oxy}octanamide | | Formula: | C33 H56 N2 O10 | | SMILES: | N(C(CCCCCCC)=O)C(COC1C(C(C(C(O1)CO)O)O)O)C(O)C(O)CCCC(=O)Nc2cccc(c2)CCCCC | | InChi: | InChI=1S/C33H56N2O10/c1-3-5-7-8-10-17-28(39)35-24(21-44-33-32(43)31(42)30(41)26(20-36)45-33)29(40)25(37)16-12-18-27(38)34-23-15-11-14-22(19-23)13-9-6-4-2/h11,14-15,19,24-26,29-33,36-37,40-43H,3-10,12-13,16-18,20-21H2,1-2H3,(H,34,38)(H,35,39)/t24-,25+,26+,29-,30-,31-,32+,33-/m0/s1 | | Synonyms: | aGSA[8,P5m] | | Definition date: | 2018-01-19 | | Last modified: | 2020-06-17 | | Release date: | 2019-01-30 | | Identifier: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(3-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name) |
|
 | | ELM | | Name: | N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetra
hydro-2H-pyran-2-yl]oxy}octan-2-yl]dodecanamide | | Formula: | C38 H66 N2 O10 | | SMILES: | C(CCCCCCCCCC)C(NC(C(O)C(O)CCCC(=O)NCCCCCCc1ccccc1)COC2OC(C(C(C2O)O)O)CO)=O | | InChi: | InChI=1S/C38H66N2O10/c1-2-3-4-5-6-7-8-9-16-23-33(44)40-29(27-49-38-37(48)36(47)35(46)31(26-41)50-38)34(45)30(42)22-18-24-32(43)39-25-17-11-10-13-19-28-20-14-12-15-21-28/h12,14-15,20-21,29-31,34-38,41-42,45-48H,2-11,13,16-19,22-27H2,1H3,(H,39,43)(H,40,44)/t29-,30+,31+,34-,35-,36-,37+,38-/m0/s1 | | Synonyms: | aGSA[12,6P] | | Definition date: | 2018-01-19 | | Last modified: | 2020-06-17 | | Release date: | 2019-01-30 | | Identifier: | N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]dodecanamide (non-preferred name) |
|
 | | ELS | | Name: | N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(4-pentylphenyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetr
ahydro-2H-pyran-2-yl]oxy}octan-2-yl]hexacosanamide | | Formula: | C51 H92 N2 O10 | | SMILES: | C(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC(=O)Nc2ccc(CCCCC)cc2)O)O | | InChi: | InChI=1S/C51H92N2O10/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-32-46(57)53-42(39-62-51-50(61)49(60)48(59)44(38-54)63-51)47(58)43(55)31-29-33-45(56)52-41-36-34-40(35-37-41)30-27-6-4-2/h34-37,42-44,47-51,54-55,58-61H,3-33,38-39H2,1-2H3,(H,52,56)(H,53,57)/t42-,43+,44+,47-,48-,49-,50+,51-/m0/s1 | | Synonyms: | aGSA[26,P5p] | | Definition date: | 2018-01-19 | | Last modified: | 2020-06-17 | | Release date: | 2019-01-30 | | Identifier: | N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(4-pentylphenyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]hexacosanamide (non-preferred name) |
|
 | | EM1 | | Name: | (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a
,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside | | Formula: | C43 H65 F N6 O10 | | SMILES: | O=C2OC5(C(OC(=O)C(F)(C(=O)C(C(OC1OC(C)CC(N(C)C)C1O)C(OC)(C)CC(C(=O)C(C)C5N2CCCCn4nnc(c3cccc(N)c3)c4)C)C)C)CC)C | | InChi: | InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3/t24-,25-,26+,27+,31+,32-,34-,35-,37-,38+,41-,42+,43-/m1/s1 | | Synonyms: | CEM-101 | | Definition date: | 2010-09-20 | | Last modified: | 2020-06-17 | | Identifier: | (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside |
|
 | | EMO | | Name: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | | Formula: | C15 H10 O5 | | SMILES: | O=C2c1c(O)cc(cc1C(=O)c3c2c(O)cc(O)c3)C | | InChi: | InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 | | Synonyms: | EMODIN | | Definition date: | 2000-05-24 | | Last modified: | 2020-06-17 | | Identifier: | 1,3,8-trihydroxy-6-methylanthracene-9,10-dione |
|
 | | ENL | | Name: | (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid | | Formula: | C8 H10 O5 | | SMILES: | O=C(O)C1C(C(=O)O)C2OC1CC2 | | InChi: | InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)/t3-,4+,5-,6+ | | Synonyms: | Endothall | | Definition date: | 2009-05-07 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid |
|
 | | ENS | | Name: | methyl
(2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate | | Formula: | C25 H29 Cl N6 O4 | | SMILES: | N#C/C(C(=O)OC)=C(NC2C(=O)N(CC(=O)N1CCCC1)CCCC2)Nc3cccc4c3ncc4Cl | | InChi: | InChI=1S/C25H29ClN6O4/c1-36-25(35)17(13-27)23(29-19-9-6-7-16-18(26)14-28-22(16)19)30-20-8-2-3-12-32(24(20)34)15-21(33)31-10-4-5-11-31/h6-7,9,14,20,28-30H,2-5,8,10-12,15H2,1H3/b23-17+/t20-/m0/s1 | | Synonyms: | methyl
(2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}prop-2-e
noate | | Definition date: | 2008-09-29 | | Last modified: | 2020-06-17 | | Identifier: | methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}prop-2-enoate |
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 | | ENV | | Name: | (2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide | | Formula: | C14 H25 F N2 O5 | | SMILES: | O=C(NCCC(=O)NCCCC(=O)CF)C(O)C(C)(C)CO | | InChi: | InChI=1S/C14H25FN2O5/c1-14(2,9-18)12(21)13(22)17-7-5-11(20)16-6-3-4-10(19)8-15/h12,18,21H,3-9H2,1-2H3,(H,16,20)(H,17,22)/t12-/m0/s1 | | Synonyms: | Fluoroacetyl carba(dethia)-pantetheine | | Definition date: | 2009-12-16 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide |
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 | | ENW | | Name: | 2-({N-[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate | | Formula: | C13 H23 F N2 O6 | | SMILES: | O=C(OCCNC(=O)CCNC(=O)C(O)C(C)(C)CO)CF | | InChi: | InChI=1S/C13H23FN2O6/c1-13(2,8-17)11(20)12(21)16-4-3-9(18)15-5-6-22-10(19)7-14/h11,17,20H,3-8H2,1-2H3,(H,15,18)(H,16,21)/t11-/m1/s1 | | Synonyms: | Fluoroacetyl oxa(dethia)-pantetheine | | Definition date: | 2009-12-17 | | Last modified: | 2020-06-17 | | Identifier: | 2-({N-[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate |
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