| TIY | Name: | 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one | Formula: | C11 H8 O5 | SMILES: | O=C2c1c(O)c(O)c(O)cc1C=CC=C2O | InChi: | InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14) | Synonyms: | Purpurogallin | Definition date: | 2011-08-30 | Last modified: | 2020-06-17 | Identifier: | 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one |
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| TJ7 | Name: | (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4
-carboxylic acid | Formula: | C16 H20 N2 O7 S2 | SMILES: | O=CC(OC)(C1SC(C(N1)C(O)=O)(C)C)NC(=O)C(C(O)=O)c2cscc2 | InChi: | InChI=1S/C16H20N2O7S2/c1-15(2)10(13(23)24)17-14(27-15)16(7-19,25-3)18-11(20)9(12(21)22)8-4-5-26-6-8/h4-7,9-10,14,17H,1-3H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,14-,16+/m1/s1 | Synonyms: | temocillin | Definition date: | 2019-10-15 | Last modified: | 2020-06-17 | Release date: | 2019-10-30 | Identifier: | (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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| TJE | Name: | (2S)-2-{[(S)-{(1R)-1-[(N-acetyl-L-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid | Formula: | C24 H31 N2 O7 P | SMILES: | O=C(O)C(CCc1ccccc1)CP(=O)(O)C(NC(=O)C(NC(=O)C)Cc2ccc(O)cc2)C | InChi: | InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1 | Synonyms: | Acetyl-Tyr-Ala-Y(PO2CH2)-homoPhe-OH | Definition date: | 2014-12-17 | Last modified: | 2020-06-17 | Release date: | 2016-01-20 | Identifier: | (2S)-2-{[(S)-{(1R)-1-[(N-acetyl-L-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid |
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| 3X9 | Name: | 3-{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}-L-alanine | Formula: | C12 H22 N2 O3 S2 | SMILES: | O=C(O)C(N)CSSCC1=CC(N(O)C1(C)C)(C)C | InChi: | InChI=1S/C12H22N2O3S2/c1-11(2)5-8(12(3,4)14(11)17)6-18-19-7-9(13)10(15)16/h5,9,17H,6-7,13H2,1-4H3,(H,15,16)/t9-/m0/s1 | Synonyms: | CYS with MTSL | Definition date: | 2014-12-04 | Last modified: | 2020-06-17 | Release date: | 2015-03-25 | Identifier: | 3-{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}-L-alanine |
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| BWU | Name: | Tetraphenylporphycene contating cobalt | Formula: | C44 H28 Co N4 | SMILES: | [Co]1n2c3ccc2C(=C(c4ccccc4)C5=NC(=C6C=CC(=C(c7ccccc7)C(=C8C=CC3=N8)c9ccccc9)[N]16)C=C5)c%10ccccc%10 | InChi: | InChI=1S/C44H28N4.Co/c1-5-13-29(14-6-1)41-37-25-21-33(45-37)34-23-27-39(47-34)43(31-17-9-3-10-18-31)44(32-19-11-4-12-20-32)40-28-24-36(48-40)35-22-26-38(46-35)42(41)30-15-7-2-8-16-30 | Synonyms: | Co-9,10,19,20-Tetraphenylporphycene | Definition date: | 2019-03-25 | Last modified: | 2020-06-17 | Release date: | 2020-03-11 |
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| BWX | Name: | (2S)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid | Formula: | C22 H27 N O3 | SMILES: | CC(C)Cc1ccc(cc1)[CH](C)C(=O)N[CH](Cc2ccccc2)C(O)=O | InChi: | InChI=1S/C22H27NO3/c1-15(2)13-18-9-11-19(12-10-18)16(3)21(24)23-20(22(25)26)14-17-7-5-4-6-8-17/h4-12,15-16,20H,13-14H2,1-3H3,(H,23,24)(H,25,26)/t16-,20-/m0/s1 | Synonyms: | N-(S)-Ibuprofenoyl-L-Phenylalanine | Definition date: | 2019-03-26 | Last modified: | 2020-06-17 | Release date: | 2020-03-18 | Identifier: | (2~{S})-2-[[(2~{S})-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid |
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| TL2 | Name: | 2-O-{4-[AMINO(IMINO)METHYL]PHENYL}-5-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL | Formula: | C20 H22 N4 O4 | SMILES: | O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3 | InChi: | InChI=1S/C20H22N4O4/c21-19(22)11-4-6-13(7-5-11)27-15-9-25-18-16(10-26-17(15)18)28-14-3-1-2-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17+,18+/m0/s1 | Synonyms: | 2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL | Definition date: | 2004-12-08 | Last modified: | 2020-06-17 | Identifier: | 1,4:3,6-dianhydro-5-O-(3-carbamimidoylphenyl)-2-O-(4-carbamimidoylphenyl)-D-glucitol |
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| TL3 | Name: | 2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL | Formula: | C20 H22 N4 O4 | SMILES: | O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2ccc(C(=[N@H])N)cc2)C4OC3 | InChi: | InChI=1S/C20H22N4O4/c21-19(22)11-1-5-13(6-2-11)27-15-9-25-18-16(10-26-17(15)18)28-14-7-3-12(4-8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1 | Synonyms: | 2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL | Definition date: | 2004-12-08 | Last modified: | 2020-06-17 | Identifier: | 1,4:3,6-dianhydro-2,5-bis-O-(4-carbamimidoylphenyl)-D-glucitol |
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| TL4 | Name: | 2-O-{3-[AMINO(IMINO)METHYL]PHENYL}-5-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL | Formula: | C20 H22 N4 O4 | SMILES: | O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3 | InChi: | InChI=1S/C20H22N4O4/c21-19(22)11-4-6-13(7-5-11)27-15-9-25-18-16(10-26-17(15)18)28-14-3-1-2-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1 | Synonyms: | 2-O-(3'-AMIDINOPHENYL)-5-O-(4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL | Definition date: | 2004-12-08 | Last modified: | 2020-06-17 | Identifier: | 1,4:3,6-dianhydro-2-O-(3-carbamimidoylphenyl)-5-O-(4-carbamimidoylphenyl)-D-glucitol |
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| TLC | Name: | 2-O,3-ETHDIYL-ARABINOFURANOSYL-THYMINE-5'-MONOPHOSPHATE | Formula: | C12 H17 N2 O9 P | SMILES: | O=C1C(=CN(C(=O)N1)C3OC(C2(O)CCOC23)COP(=O)(O)O)C | InChi: | InChI=1S/C12H17N2O9P/c1-6-4-14(11(16)13-9(6)15)10-8-12(17,2-3-21-8)7(23-10)5-22-24(18,19)20/h4,7-8,10,17H,2-3,5H2,1H3,(H,13,15,16)(H2,18,19,20)/t7-,8-,10-,12-/m1/s1 | Synonyms: | [3.3.0]BICYCLO-ARABINO-THYMINE-5'-PHOSPHATE | Definition date: | 2000-02-25 | Last modified: | 2020-06-17 | Identifier: | [(3aR,4R,6R,6aS)-3a-hydroxy-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)hexahydrofuro[3,4-b]furan-4-yl]methyl dihydrogen phosphate |
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| TLD | Name: | 4-methylbenzene-1,2-dithiol | Formula: | C7 H8 S2 | SMILES: | Sc1ccc(cc1S)C | InChi: | InChI=1S/C7H8S2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 | Synonyms: | Toluene-3,4-dithiol | Definition date: | 2007-09-25 | Last modified: | 2020-06-17 | Identifier: | 4-methylbenzene-1,2-dithiol |
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| BYT | Name: | Biocytin | Formula: | C16 H28 N4 O4 S | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCC(C(=O)O)N | InChi: | InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1 | Synonyms: | N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine | Definition date: | 2013-08-01 | Last modified: | 2020-06-17 | Release date: | 2014-09-10 | Identifier: | N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine |
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| TLO | Name: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine | Formula: | C16 H20 N2 O11 P2 | SMILES: | O=P(Oc1ccccc1)(O)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3O | InChi: | InChI=1S/C16H20N2O11P2/c1-10-8-18(16(21)17-15(10)20)14-7-12(19)13(27-14)9-26-30(22,23)29-31(24,25)28-11-5-3-2-4-6-11/h2-6,8,12-14,19H,7,9H2,1H3,(H,22,23)(H,24,25)(H,17,20,21)/t12-,13+,14+/m0/s1 | Synonyms: | thymidine diphosphate phenol | Definition date: | 2010-10-29 | Last modified: | 2020-06-17 | Identifier: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine |
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| BYY | Name: | 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid | Formula: | C10 H16 N2 O3 Se | SMILES: | O=C1NC2C(N1)C([Se]C2)CCCCC(O)=O | InChi: | InChI=1S/C10H16N2O3Se/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1 | Synonyms: | selenobiotin | Definition date: | 2016-04-18 | Last modified: | 2020-06-17 | Release date: | 2016-11-16 | Identifier: | 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid |
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| TLZ | Name: | D-altritol | Formula: | C6 H14 O6 | SMILES: | OC(C(O)CO)C(O)C(O)CO | InChi: | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6+/m1/s1 | Synonyms: | D-talitol | Definition date: | 2014-12-15 | Last modified: | 2020-06-17 | Release date: | 2014-12-24 | Identifier: | D-altritol |
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| BZ7 | Name: | N~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-N~4~-tert-butyl-N~2~-(3-phenylpropanoyl)-L-aspartamide | Formula: | C32 H38 N4 O4 | SMILES: | N(C(CC(NC(C)(C)C)=O)C(=O)NCCNC(=O)c1cccc(c1)c2ccccc2)C(CCc3ccccc3)=O | InChi: | InChI=1S/C32H38N4O4/c1-32(2,3)36-29(38)22-27(35-28(37)18-17-23-11-6-4-7-12-23)31(40)34-20-19-33-30(39)26-16-10-15-25(21-26)24-13-8-5-9-14-24/h4-16,21,27H,17-20,22H2,1-3H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)/t27-/m0/s1 | Synonyms: | PKS21004 | Definition date: | 2017-09-05 | Last modified: | 2020-06-17 | Release date: | 2017-12-06 | Identifier: | N~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-N~4~-tert-butyl-N~2~-(3-phenylpropanoyl)-L-aspartamide |
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| BZE | Name: | 6-phenyl-1,3,5-triazine-2,4-diamine | Formula: | C9 H9 N5 | SMILES: | n1c(nc(nc1c2ccccc2)N)N | InChi: | InChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14) | Synonyms: | BENZOGUANAMINE | Definition date: | 2013-05-10 | Last modified: | 2020-06-17 | Release date: | 2013-05-22 | Identifier: | 6-phenyl-1,3,5-triazine-2,4-diamine |
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| BZQ | Name: | DIPHENYLMETHANONE | Formula: | C13 H10 O | SMILES: | O=C(c1ccccc1)c2ccccc2 | InChi: | InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H | Synonyms: | BENZENE, BENZOYL- | Definition date: | 2000-03-08 | Last modified: | 2020-06-17 | Identifier: | diphenylmethanone |
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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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| 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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| C09 | Name: | 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine | Formula: | C13 H14 N4 O | SMILES: | n3c1ccccc1c2c(nc(n2)COCC)c3N | InChi: | InChI=1S/C13H14N4O/c1-2-18-7-10-16-11-8-5-3-4-6-9(8)15-13(14)12(11)17-10/h3-6H,2,7H2,1H3,(H2,14,15)(H,16,17) | Synonyms: | CL097 | Definition date: | 2013-01-22 | Last modified: | 2020-06-17 | Release date: | 2013-04-03 | Identifier: | 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine |
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| 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 |
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| C0L | Name: | methyl
[(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-d
ihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate | Formula: | C30 H41 N O7 | SMILES: | CC=[C@H]CC=C(/C)C(O)CCC(=[C@H]C=C(/C)C(O)=C1C(=O)C=C(OC1=O)C(CC[C@H]=CNC(=O)OC)C)C | InChi: | InChI=1S/C30H41NO7/c1-7-8-9-12-21(3)24(32)17-15-20(2)14-16-23(5)28(34)27-25(33)19-26(38-29(27)35)22(4)13-10-11-18-31-30(36)37-6/h7-8,11-12,14,16,18-19,22,24,32,34H,9-10,13,15,17H2,1-6H3,(H,31,36)/b8-7+,18-11+,20-14+,21-12+,23-16+,28-27?/t22-,24-/m1/s1 | Synonyms: | Corallopyronin A | Definition date: | 2018-08-14 | Last modified: | 2020-06-17 | Release date: | 2018-11-21 | Identifier: | methyl [(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate |
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| 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 |
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| 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 |
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