 | | TNA | | Name: | N-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-L-glutamic acid | | Formula: | C13 H23 N3 O8 | | SMILES: | O=C(O)C(NCCC(NCCC(N)C(=O)O)C(=O)O)CCC(=O)O | | InChi: | InChI=1S/C13H23N3O8/c14-7(11(19)20)3-5-15-9(13(23)24)4-6-16-8(12(21)22)1-2-10(17)18/h7-9,15-16H,1-6,14H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t7-,8-,9-/m0/s1 | | Synonyms: | thermonicotianamine | | Definition date: | 2009-01-07 | | Last modified: | 2020-06-17 | | Identifier: | N-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-L-glutamic acid |
|
 | | TNE | | Name: | 8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE | | Formula: | C8 H13 N O | | SMILES: | O=C1CC2N(C)C(C1)CC2 | | InChi: | InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+ | | Synonyms: | TROPINONE | | Definition date: | 2001-05-16 | | Last modified: | 2020-06-17 | | Identifier: | (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one |
|
 | | TNG | | Name: | propane-1,2,3-triyl trinitrate | | Formula: | C3 H5 N3 O9 | | SMILES: | O=[N+]([O-])OC(CO[N+]([O-])=O)CO[N+](=O)[O-] | | InChi: | InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2 | | Synonyms: | nitroglycerin | | Definition date: | 2012-07-11 | | Last modified: | 2020-06-17 | | Release date: | 2012-09-21 | | Identifier: | propane-1,2,3-triyl trinitrate |
|
 | | TNH | | Name: | N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pyridine-3-carboxamide | | Formula: | C25 H30 N4 O | | SMILES: | O=C(NCCCCCCNc1c3ccccc3nc2c1CCCC2)c4cccnc4 | | InChi: | InChI=1S/C25H30N4O/c30-25(19-10-9-15-26-18-19)28-17-8-2-1-7-16-27-24-20-11-3-5-13-22(20)29-23-14-6-4-12-21(23)24/h3,5,9-11,13,15,18H,1-2,4,6-8,12,14,16-17H2,(H,27,29)(H,28,30) | | Synonyms: | 2-{2-[(1,2,3,4-tetrahydroacridin- 9-yl)amino]hexyl}N-nicotinamide | | Definition date: | 2014-11-28 | | Last modified: | 2020-06-17 | | Release date: | 2015-12-23 | | Identifier: | N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pyridine-3-carboxamide |
|
 | | TNS | | Name: | N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID | | Formula: | C20 H22 N2 O4 | | SMILES: | [O-][N+](=O)c1ccc(cc1)C=Cc2ccc(N(C)CCCCC(=O)O)cc2 | | InChi: | InChI=1S/C20H22N2O4/c1-21(15-3-2-4-20(23)24)18-11-7-16(8-12-18)5-6-17-9-13-19(14-10-17)22(25)26/h5-14H,2-4,15H2,1H3,(H,23,24)/b6-5+ | | Synonyms: | 5-[{4-[(E)-2-(4-NITROPHENYL)VINYL]PHENYL}(METHYL)AMINO]PENTANOIC ACID | | Definition date: | 2006-02-20 | | Last modified: | 2020-06-17 | | Identifier: | 5-(methyl{4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl}amino)pentanoic acid |
|
 | | TO1 | | Name: | 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C12 H13 N5 O4 | | SMILES: | N#Cc2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N | | InChi: | InChI=1S/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1 | | Synonyms: | TOYOCAMYCIN | | Definition date: | 2011-04-22 | | Last modified: | 2020-06-17 | | Identifier: | 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
|
 | | TOI | | Name: | (1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl
(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid
anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid | | Formula: | C26 H35 N4 O16 P2 S | | SMILES: | CC1=NC(=N)C(=CN1)C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C](O)(CCC(O)=O)[CH]3C=C[CH](OC(=C)C(O)=O)[CH](O)[CH]3C(O)=O | | InChi: | InChI=1S/C26H34N4O16P2S/c1-12-18(7-9-44-48(42,43)46-47(39,40)41)49-25(30(12)11-15-10-28-14(3)29-22(15)27)26(38,8-6-19(31)32)16-4-5-17(45-13(2)23(34)35)21(33)20(16)24(36)37/h4-5,10,16-17,20-21,33,38H,2,6-9,11H2,1,3H3,(H7-,27,28,29,31,32,34,35,36,37,39,40,41,42,43)/p+1/t16-,17-,20+,21+,26-/m0/s1 | | Synonyms: | ThDP, decarboxylated 2-oxoglutarate and isochorismate adduct, covalent intermediate II | | Definition date: | 2015-11-17 | | Last modified: | 2020-06-17 | | Release date: | 2016-06-22 | | Identifier: | (1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid |
|
 | | TP0 | | Name: | Amitriptyline | | Formula: | C20 H23 N | | SMILES: | c3cc2c(/C(c1c(cccc1)CC2)=C/CCN(C)C)cc3 | | InChi: | InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | | Synonyms: | 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine | | Definition date: | 2010-11-09 | | Last modified: | 2020-06-17 | | Identifier: | 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine |
|
 | | TP3 | | Name: | 4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINE | | Formula: | C17 H20 N2 O9 S | | SMILES: | O=C(O)C2N(S(=O)(=O)c1ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc1)CCC2 | | InChi: | InChI=1S/C17H20N2O9S/c20-14(21)8-7-12(16(23)24)18-15(22)10-3-5-11(6-4-10)29(27,28)19-9-1-2-13(19)17(25)26/h3-6,12-13H,1-2,7-9H2,(H,18,22)(H,20,21)(H,23,24)(H,25,26)/t12-,13+/m0/s1 | | Synonyms: | SP-722 | | Definition date: | 2000-06-13 | | Last modified: | 2020-06-17 | | Identifier: | N-[(4-{[(2R)-2-carboxypyrrolidin-1-yl]sulfonyl}phenyl)carbonyl]-L-glutamic acid |
|
 | | TP4 | | Name: | N-[4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINYL]-3-AMINO-PROPANOIC ACID | | Formula: | C20 H25 N3 O10 S | | SMILES: | O=C(NCCC(=O)O)C2N(S(=O)(=O)c1ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc1)CCC2 | | InChi: | InChI=1S/C20H25N3O10S/c24-16(25)8-7-14(20(30)31)22-18(28)12-3-5-13(6-4-12)34(32,33)23-11-1-2-15(23)19(29)21-10-9-17(26)27/h3-6,14-15H,1-2,7-11H2,(H,21,29)(H,22,28)(H,24,25)(H,26,27)(H,30,31)/t14-,15+/m0/s1 | | Synonyms: | SP-876 | | Definition date: | 2000-06-13 | | Last modified: | 2020-06-17 | | Identifier: | 1-[(4-{[(1S)-1,3-dicarboxypropyl]carbamoyl}phenyl)sulfonyl]-D-prolyl-beta-alanine |
|
 | | TP8 | | Name: | 5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-[(1Z)-1-HYDROXY-3-(PHOSPHONOOXY)PROP-1-EN-1-YL]-3-{[(4Z)-4-IMINO-2-
METHYL-4,5-DIHYDROPYRIMIDIN-5-YL]METHYL}-4-METHYL-1,3-THIAZOL-3-IUM | | Formula: | C15 H21 N4 O12 P3 S | | SMILES: | CC1=NC(=N)[CH](C[n+]2c(C)c(CCO[P]([O-])(=O)O[P](O)([O-])=O)sc2C(O)=CCO[P](O)([O-])=O)C=N1 | | InChi: | InChI=1S/C15H23N4O12P3S/c1-9-13(4-6-30-34(27,28)31-33(24,25)26)35-15(12(20)3-5-29-32(21,22)23)19(9)8-11-7-17-10(2)18-14(11)16/h3,7,11,16H,4-6,8H2,1-2H3,(H5-,20,21,22,23,24,25,26,27,28)/p-2/b12-3-,16-14+ | | Synonyms: | PUTATIVE ENOL(ATE)-THDP REACTION INTERMEDIATE | | Definition date: | 2006-10-13 | | Last modified: | 2020-06-17 | | Identifier: | [(Z)-3-hydroxy-3-[5-[2-[(hydroxy-oxido-phosphoryl)oxy-oxido-phosphoryl]oxyethyl]-3-[[(5S)-4-imino-2-methyl-5H-pyrimidin-5-yl]methyl]-4-methyl-1,3-thiazol-3-ium-2-yl]prop-2-enyl] hydrogen phosphate |
|
 | | TPF | | Name: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL | | Formula: | C13 H12 F2 N6 O | | SMILES: | Fc1ccc(c(F)c1)C(O)(Cn2ncnc2)Cn3ncnc3 | | InChi: | InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | | Synonyms: | FLUCONAZOLE | | Definition date: | 2000-11-03 | | Last modified: | 2020-06-17 | | Identifier: | 2-(2,4-difluorophenyl)-1,3-di-1H-1,2,4-triazol-1-ylpropan-2-ol |
|
 | | TPW | | Name: | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE | | Formula: | C13 H19 N3 O7 P2 S | | SMILES: | O=P(O)(O)OP(=O)(O)OCCc1scc(c1C)Cc2c(nc(nc2)C)N | | InChi: | InChI=1S/C13H19N3O7P2S/c1-8-11(5-10-6-15-9(2)16-13(10)14)7-26-12(8)3-4-22-25(20,21)23-24(17,18)19/h6-7H,3-5H2,1-2H3,(H,20,21)(H2,14,15,16)(H2,17,18,19) | | Synonyms: | 3-DEAZA-THDP | | Definition date: | 2007-02-26 | | Last modified: | 2020-06-17 | | Identifier: | 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate |
|
 | | TR5 | | Name: | 5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine | | Formula: | C13 H17 N6 O7 P | | SMILES: | O=P(O)(O)OCC4OC(n1cc2C(=NN(c3ncnc1c23)C)N)C(O)C4O | | InChi: | InChI=1S/C13H17N6O7P/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(21)8(20)6(26-13)3-25-27(22,23)24/h2,4,6,8-9,13,20-21H,3H2,1H3,(H2,14,17)(H2,22,23,24)/t6-,8-,9-,13-/m1/s1 | | Synonyms: | Triciribine phosphate | | Definition date: | 2012-07-13 | | Last modified: | 2020-06-17 | | Release date: | 2012-12-28 | | Identifier: | 5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine |
|
 | | TRD | | Name: | TRIDECANE | | Formula: | C13 H28 | | SMILES: | C(CCCCCCCC)CCCC | | InChi: | InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3 | | Synonyms: | LIPID FRAGMENT | | Definition date: | 1999-09-17 | | Last modified: | 2020-06-17 | | Identifier: | tridecane |
|
 | | TRS | | Name: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | | Formula: | C4 H12 N O3 | | SMILES: | OCC([NH3+])(CO)CO | | InChi: | InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1 | | Synonyms: | TRIS BUFFER | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium |
|
 | | TRT | | Name: | FRAGMENT OF TRITON X-100 | | Formula: | C21 H36 O4 | | SMILES: | O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOC | | InChi: | InChI=1S/C21H36O4/c1-20(2,3)17-21(4,5)18-7-9-19(10-8-18)25-16-15-24-14-13-23-12-11-22-6/h7-10H,11-17H2,1-6H3 | | Synonyms: | 1-{2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY}-4-(1,1,3,3-TETRAMETHYLBUTYL)BENZENE | | Definition date: | 2003-06-27 | | Last modified: | 2020-06-17 | | Identifier: | 1-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-4-(1,1,3,3-tetramethylbutyl)benzene |
|
 | | TSV | | Name: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8
,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate | | Formula: | C35 H44 F N5 O9 S | | SMILES: | O=S(=O)(NC(=O)C12NC(=O)C5N(C(=O)C(NC(=O)OC(C)(C)C)CCCCCC=CC2C1)CC(OC(=O)n4cc3cccc(F)c3c4)C5)C6CC6 | | InChi: | InChI=1S/C35H44FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,18,20,22-24,27-28H,4-6,8,13-17,19H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1 | | Synonyms: | ITMN-191 | | Definition date: | 2010-04-21 | | Last modified: | 2020-06-17 | | Identifier: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate |
|
 | | TSZ | | Name: | HYDRAZINECARBOTHIOAMIDE | | Formula: | C H5 N3 S | | SMILES: | S=C(N)NN | | InChi: | InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5) | | Synonyms: | THIOSEMICARBAZIDE | | Definition date: | 2007-04-13 | | Last modified: | 2020-06-17 | | Identifier: | hydrazinecarbothioamide |
|
 | | TT8 | | Name: | (2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic
acid | | Formula: | C15 H22 N6 O5 S | | SMILES: | O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)NC)C(O)C3O | | InChi: | InChI=1S/C15H22N6O5S/c1-17-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(26-14)4-27-3-2-7(16)15(24)25/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H,17,18,19)/t7-,8+,10+,11+,14+/m0/s1 | | Synonyms: | S-(N6-Methyladenosyl)-L-homocysteine | | Definition date: | 2011-07-13 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-amino-4-[({(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)-9H-purin-9-yl]tetrahydrofuran-2-yl}methyl)sulfanyl]butanoic acid (non-preferred name) |
|
 | | TTB | | Name: | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID | | Formula: | C24 H28 O2 | | SMILES: | O=C(O)c1ccc(cc1)C=C(c2ccc3c(c2)C(CCC3(C)C)(C)C)C | | InChi: | InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+ | | Synonyms: | TTNPB | | Definition date: | 2004-09-14 | | Last modified: | 2020-06-17 | | Identifier: | 4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid |
|
 | | TTC | | Name: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE | | Formula: | C23 H23 N3 O5 | | SMILES: | O=C1N4C(=CC2=C1COC(=O)C2(O)CC)c3nc5c(cc3C4)c(c(O)cc5)CN(C)C | | InChi: | InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1 | | Synonyms: | TOPOTECAN, HYCAMTIN | | Definition date: | 2001-12-06 | | Last modified: | 2020-06-17 | | Identifier: | (4S)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione |
|
 | | TTD | | Name: | CIS-SYN CYCLOBUTANE THYMINE DIMER | | Formula: | C20 H28 N4 O15 P2 | | SMILES: | O=C1NC(=O)C5(C4N1C2OC(C(O)C2)COP(=O)(O)OC6C(OC(N3C(=O)NC(=O)C5(C34)C)C6)COP(=O)(O)O)C | | InChi: | InChI=1S/C20H28N4O15P2/c1-19-13-14-20(19,2)16(27)22-18(29)24(14)12-4-8(10(38-12)6-35-40(30,31)32)39-41(33,34)36-5-9-7(25)3-11(37-9)23(13)17(28)21-15(19)26/h7-14,25H,3-6H2,1-2H3,(H,33,34)(H,21,26,28)(H,22,27,29)(H2,30,31,32)/t7-,8-,9+,10+,11+,12+,13+,14-,19-,20+/m0/s1 | | Synonyms: | [(3S,4S,9S,10R,12R,15AR,18BS,18CS)-3,7-DIHYDROXY-15A,15B-DIMETHYL-7-OXIDO-13,15,16,18-TETRAOXOHEXADECAHYDRO-1H-1,4-EPOX
Y-9,12-METHANO-6,8,11-TRIOXA-12A,14,17,18A-TETRAAZA-7-PHOSPHACYCLOHEXADECA[1,2,3,4-DEF]BIPHENYLEN-10-YL]METHYL DIHYDROGEN PHOSPHATE | | Definition date: | 2004-03-16 | | Last modified: | 2020-06-17 | | Identifier: | [(1R,3R,4S,6S,9R,10S,12R,15aS,15bR,18bR,18cS)-6,10-dihydroxy-15a,15b-dimethyl-6-oxido-13,15,16,18-tetraoxohexadecahydro-8H-9,12-epoxy-1,4-methano-2,5,7-trioxa-12a,14,17,18a-tetraaza-6-phosphacyclohexadeca[1,2,3,4-def]biphenylen-3-yl]methyl dihydrogen phosphate |
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 | | 8V2 | | Name: | methyl
(3~{S},7~{R},10~{R},13~{R})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylid
ene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,
7}]tridec-8-ene-13-carboxylate | | Formula: | C36 H42 Cl N5 O7 | | SMILES: | COC(=O)[CH]1CC[CH]2C=C[CH]3CCN([CH]3C(=O)N12)C(=O)[CH]4CC[CH]5C=C[C]6(CCCN6C(=O)[CH](Cc7ccccc7Cl)NC(C)=O)C(=O)N45 | | InChi: | InChI=1S/C36H42ClN5O7/c1-21(43)38-27(20-23-6-3-4-7-26(23)37)31(44)40-18-5-16-36(40)17-14-25-10-12-28(42(25)35(36)48)32(45)39-19-15-22-8-9-24-11-13-29(34(47)49-2)41(24)33(46)30(22)39/h3-4,6-9,14,17,22,24-25,27-30H,5,10-13,15-16,18-20H2,1-2H3,(H,38,43)/t22-,24-,25-,27-,28-,29+,30-,36+/m0/s1 | | Synonyms: | Ac-[2-Cl-F]-[ProM-2]-[ProM-12]-OMe | | Definition date: | 2017-03-10 | | Last modified: | 2020-06-17 | | Release date: | 2018-03-21 | | Identifier: | methyl (3~{S},7~{R},10~{R},13~{R})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate |
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 | | T25 | | Name: | (9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid | | Formula: | C18 H32 O3 | | SMILES: | O=C(O)CCCCCCC/C=CCC1OC1CCCCC | | InChi: | InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m0/s1 | | Synonyms: | 12R,13S-epoxy-9(Z)-octadecenoic acid | | Definition date: | 2007-10-10 | | Last modified: | 2020-06-17 | | Identifier: | (9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid |
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