![TB1 TB1](https://data.pdbj.org/pdbjplus/data/cc/svg/TB1.svg) | TB1 | Name: | (3S)-3-(BENZYLOXY)-L-ASPARTIC ACID | Formula: | C11 H13 N O5 | SMILES: | O=C(O)C(N)C(OCc1ccccc1)C(=O)O | InChi: | InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1 | Synonyms: | D,L-THREO-BENZYLOXYASPARTATE | Definition date: | 2007-01-15 | Last modified: | 2020-06-17 | Identifier: | (3S)-3-(benzyloxy)-L-aspartic acid |
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![TBN TBN](https://data.pdbj.org/pdbjplus/data/cc/svg/TBN.svg) | TBN | Name: | '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL | Formula: | C11 H14 N4 O4 | SMILES: | OCC3OC(n2ccc1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1 | Synonyms: | 7-DEAZAADENOSINE | Definition date: | 2003-06-23 | Last modified: | 2020-06-17 | Identifier: | 7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
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![TBO TBO](https://data.pdbj.org/pdbjplus/data/cc/svg/TBO.svg) | TBO | Name: | 5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE | Formula: | C16 H20 Cl N3 S | SMILES: | S=C2Nc1ccc(Cl)c3c1N2CC(N(C3)CC=C(/C)C)C | InChi: | InChI=1S/C16H20ClN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)/t11-/m0/s1 | Synonyms: | TBO 8 | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (5S)-8-chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione |
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![4R8 4R8](https://data.pdbj.org/pdbjplus/data/cc/svg/4R8.svg) | 4R8 | Name: | (6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid | Formula: | C22 H32 O3 | SMILES: | O=C(C/C=C/CCC=C/CC=C/CC=C/CC=C/CC)CCC(=O)O | InChi: | InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,16-17H,2,5,8,11,14-15,18-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,17-16+ | Synonyms: | 4-OXODOCOSAHEXAENOIC ACID | Definition date: | 2008-06-02 | Last modified: | 2020-06-17 | Identifier: | (6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid |
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![TBS TBS](https://data.pdbj.org/pdbjplus/data/cc/svg/TBS.svg) | TBS | Name: | 4,5,6,7-TETRABROMOBENZOTRIAZOLE | Formula: | C6 H Br4 N3 | SMILES: | Brc2c1c(nnn1)c(Br)c(Br)c2Br | InChi: | InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13) | Synonyms: | TETRABROMO-2-BENZOTRIAZOLE | Definition date: | 2001-05-31 | Last modified: | 2020-06-17 | Identifier: | 4,5,6,7-tetrabromo-1H-benzotriazole |
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![TBU TBU](https://data.pdbj.org/pdbjplus/data/cc/svg/TBU.svg) | TBU | Name: | TERTIARY-BUTYL ALCOHOL | Formula: | C4 H10 O | SMILES: | OC(C)(C)C | InChi: | InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 | Synonyms: | 2-METHYL-2-PROPANOL | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | 2-methylpropan-2-ol |
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![TBV TBV](https://data.pdbj.org/pdbjplus/data/cc/svg/TBV.svg) | TBV | Name: | 3-[2-[[3-(2-CARBOXYETHYL)-5-[[3-ETHENYL-4-METHYL-5-[(2-METHYLPROPAN-2-YL)OXY]-1H-PYRROL-2-YL]METHYL]-4-METHYL-1H-PYRROL
-2-YL]METHYL]-5-[(Z)-(4-ETHENYL-3-METHYL-5-OXO-PYRROL-2-YLIDENE)METHYL]-4-METHYL-1H-PYRROL-3-YL]PROPANOIC ACID | Formula: | C37 H46 N4 O6 | SMILES: | Cc1c(Cc2[nH]c(OC(C)(C)C)c(C)c2C=C)[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c1CCC(O)=O | InChi: | InChI=1S/C37H46N4O6/c1-10-23-22(6)36(47-37(7,8)9)41-30(23)17-28-21(5)26(13-15-34(44)45)32(39-28)18-31-25(12-14-33(42)43)20(4)27(38-31)16-29-19(3)24(11-2)35(46)40-29/h10-11,16,38-39,41H,1-2,12-15,17-18H2,3-9H3,(H,40,46)(H,42,43)(H,44,45)/b29-16- | Synonyms: | BILIVERDIN | Definition date: | 2009-03-19 | Last modified: | 2020-06-17 | Identifier: | 3-[2-[[3-(2-carboxyethyl)-5-[[3-ethenyl-4-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
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![TBX TBX](https://data.pdbj.org/pdbjplus/data/cc/svg/TBX.svg) | TBX | Name: | (3~{S})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol | Formula: | C16 H22 Cl N3 O | SMILES: | CC(C)(C)[C](O)(CCc1ccc(Cl)cc1)Cn2cncn2 | InChi: | InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m1/s1 | Synonyms: | (S)-tebuconazole | Definition date: | 2015-10-20 | Last modified: | 2020-06-17 | Release date: | 2016-02-10 | Identifier: | (3~{S})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol |
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![TBZ TBZ](https://data.pdbj.org/pdbjplus/data/cc/svg/TBZ.svg) | TBZ | Name: | 2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE | Formula: | C32 H29 N8 O | SMILES: | O(c1ccc(cc1)c3nc2ccc(cc2n3)c5nc4ccc(cc4n5)c6nc7c(n6)cc(cc7)N8CCC(C8)[NH3+])C | InChi: | InChI=1S/C32H28N8O/c1-41-23-7-2-18(3-8-23)30-34-24-9-4-19(14-27(24)37-30)31-35-25-10-5-20(15-28(25)38-31)32-36-26-11-6-22(16-29(26)39-32)40-13-12-21(33)17-40/h2-11,14-16,21H,12-13,17,33H2,1H3,(H,34,37)(H,35,38)(H,36,39)/p+1/t21-/m0/s1 | Synonyms: | TRIBIZ | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (3S)-1-[2''-(4-methoxyphenyl)-1H,3'H,3''H-2,5':2',5''-terbenzimidazol-6-yl]pyrrolidin-3-aminium |
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![TCK TCK](https://data.pdbj.org/pdbjplus/data/cc/svg/TCK.svg) | TCK | Name: | N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide | Formula: | C14 H21 Cl N2 O3 S | SMILES: | O=S(=O)(NC(C(=O)CCl)CCCCN)c1ccc(cc1)C | InChi: | InChI=1S/C14H21ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13,17H,2-4,9-10,16H2,1H3/t13-/m0/s1 | Synonyms: | Tos-Lys-CH2Cl | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-4-methylbenzenesulfonamide |
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![4ST 4ST](https://data.pdbj.org/pdbjplus/data/cc/svg/4ST.svg) | 4ST | Name: | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE | Formula: | C28 H30 N4 O3 | SMILES: | O=C4NCc3c2c1ccccc1n7c2c5n(c6c(c5c34)CCCC6)C8OC7(C)C(OC)C(NC)C8 | InChi: | InChI=1S/C28H30N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h5,7,9,11,17,20,26,29H,4,6,8,10,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | Synonyms: | AFN941 | Definition date: | 2005-03-14 | Last modified: | 2020-06-17 | Identifier: | (5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,10,11,12,13,15,16-decahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one |
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![TDM TDM](https://data.pdbj.org/pdbjplus/data/cc/svg/TDM.svg) | TDM | Name: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL
TRIHYDROGEN DIPHOSPHATE | Formula: | C14 H22 N4 O8 P2 S | SMILES: | O=P(O)(O)OP(=O)(O)OCCC=1SC(=C(O)C)N(C=1C)Cc2cnc(nc2N)C | InChi: | InChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,19H,4-5,7H2,1-3H3,(H,23,24)(H2,15,16,17)(H2,20,21,22)/b14-9+ | Synonyms: | 2-HYDROXYETHYLTHIAMIN DIPHOSPHATE | Definition date: | 2005-12-01 | Last modified: | 2020-06-17 | Identifier: | 2-[(2E)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyl trihydrogen diphosphate |
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![TDU TDU](https://data.pdbj.org/pdbjplus/data/cc/svg/TDU.svg) | TDU | Name: | 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea | Formula: | C15 H18 N4 O S | SMILES: | O=C(NCCC1=CCCCC1)Nc2ccc3nnsc3c2 | InChi: | InChI=1S/C15H18N4OS/c20-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)21-19-18-13/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,20) | Synonyms: | 1-(benzo[d][1,2,3]thiadiazol-6-yl)-3-(2-cyclohexenylethyl)urea | Definition date: | 2011-07-07 | Last modified: | 2020-06-17 | Identifier: | 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea |
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![B8F B8F](https://data.pdbj.org/pdbjplus/data/cc/svg/B8F.svg) | B8F | Name: | (5beta)-3-oxours-12-en-28-oic acid | Formula: | C30 H46 O3 | SMILES: | C1C(=O)C(C3C(C1)(C2CC=C4C(C2(C)CC3)(CCC5(C4C(C(CC5)C)C)C(=O)O)C)C)(C)C | InChi: | InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1 | Synonyms: | Ursonic acid | Definition date: | 2019-01-22 | Last modified: | 2020-06-17 | Release date: | 2020-01-15 | Identifier: | (5beta)-3-oxours-12-en-28-oic acid |
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![TEJ TEJ](https://data.pdbj.org/pdbjplus/data/cc/svg/TEJ.svg) | TEJ | Name: | (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one | Formula: | C27 H38 O4 | SMILES: | O=C/4OC(CC(C3C2(C)C(C(=CC=C1/C(=C)C(O)CC(O)C1)CCC2)CC3)C)CC4=C | InChi: | InChI=1S/C27H38O4/c1-16(12-22-13-17(2)26(30)31-22)23-9-10-24-19(6-5-11-27(23,24)4)7-8-20-14-21(28)15-25(29)18(20)3/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b19-7+,20-8-/t16-,21+,22-,23+,24-,25-,27+/m0/s1 | Synonyms: | (23S)-25-dehydro-1alpha-hydroxyvitamin D3-26,23-lactone | Definition date: | 2009-05-21 | Last modified: | 2020-06-17 | Identifier: | (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one |
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![TER TER](https://data.pdbj.org/pdbjplus/data/cc/svg/TER.svg) | TER | Name: | N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE | Formula: | C10 H26 N4 | SMILES: | N(CCCCN)CCCNCCCN | InChi: | InChI=1S/C10H26N4/c11-5-1-2-7-13-9-4-10-14-8-3-6-12/h13-14H,1-12H2 | Synonyms: | THERMOSPERMINE | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | N-{3-[(3-aminopropyl)amino]propyl}butane-1,4-diamine |
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![TG1 TG1](https://data.pdbj.org/pdbjplus/data/cc/svg/TG1.svg) | TG1 | Name: | OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, 6ABETA, 7BETA, 8ALPHA(Z),
9BALPHA]]-6-(ACETYLOXY)-2,3,-3A,4,5,6,6A,7,8,9B-DECAHYDRO-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-[(2-METHYL-1-OXO-2-BUTENYL)OX
Y]-2-OXO-4-(1-OXOBUTOXY)-AZULENO[4,5-B]FURAN-7-YL ESTER | Formula: | C34 H50 O12 | SMILES: | O=C3OC2C1=C(C(OC(=O)C(=C/C)C)C(OC(=O)CCCCCCC)C1C(OC(=O)C)(CC(OC(=O)CCC)C2(O)C3(O)C)C)C | InChi: | InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1 | Synonyms: | THAPSIGARGIN | Definition date: | 2002-05-30 | Last modified: | 2020-06-17 | Identifier: | (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate |
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![TGF TGF](https://data.pdbj.org/pdbjplus/data/cc/svg/TGF.svg) | TGF | Name: | 2-[4-(4-{4-[(2-AMINO-5-FORMYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAM
INO)-4-CARBOXY-BUTYRYLAMINO]-PENTANEDIOIC ACID | Formula: | C30 H37 N9 O13 | SMILES: | O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC2N(C=3C(=O)NC(=NC=3NC2)N)C=O)CCC(=O)O | InChi: | InChI=1S/C30H37N9O13/c31-30-37-24-23(26(46)38-30)39(13-40)16(12-33-24)11-32-15-3-1-14(2-4-15)25(45)36-19(29(51)52)6-9-21(42)34-17(27(47)48)5-8-20(41)35-18(28(49)50)7-10-22(43)44/h1-4,13,16-19,32H,5-12H2,(H,34,42)(H,35,41)(H,36,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H4,31,33,37,38,46)/t16-,17-,18-,19-/m0/s1 | Synonyms: | TRIGLU-5-FORMYL-TETRAHYDROFOLATE | Definition date: | 2002-12-02 | Last modified: | 2020-06-17 | Identifier: | N-{[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid |
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![BAI BAI](https://data.pdbj.org/pdbjplus/data/cc/svg/BAI.svg) | BAI | Name: | (5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE | Formula: | C16 H14 N6 | SMILES: | [N@H]=C(c4ccc1c(nc(n1)Cc2nc3ccccc3n2)c4)N | InChi: | InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22) | Synonyms: | HEMI-BABIM | Definition date: | 1999-08-02 | Last modified: | 2020-06-17 | Identifier: | 2-(1H-benzimidazol-2-ylmethyl)-1H-benzimidazole-5-carboximidamide |
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![BAT BAT](https://data.pdbj.org/pdbjplus/data/cc/svg/BAT.svg) | BAT | Name: | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE | Formula: | C23 H31 N3 O4 S2 | SMILES: | O=C(NC)C(NC(=O)C(C(C(=O)NO)CSc1sccc1)CC(C)C)Cc2ccccc2 | InChi: | InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1 | Synonyms: | BATIMASTAT | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (2R,3S)-N~1~-[(1S)-1-benzyl-2-(methylamino)-2-oxoethyl]-N~4~-hydroxy-2-(2-methylpropyl)-3-[(thiophen-2-ylsulfanyl)methyl]butanediamide |
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![TGS TGS](https://data.pdbj.org/pdbjplus/data/cc/svg/TGS.svg) | TGS | Name: | 1-deoxy-D-xylo-hex-3-ulose | Formula: | C6 H12 O5 | SMILES: | CC(O)C(C(C(CO)O)O)=O | InChi: | InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3-4,6-9,11H,2H2,1H3/t3-,4+,6-/m0/s1 | Synonyms: | 1-deoxy 3-keto-D-galactitol | Definition date: | 2015-03-27 | Last modified: | 2020-06-17 | Release date: | 2016-03-23 | Identifier: | 1-deoxy-D-xylo-hex-3-ulose |
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![TGT TGT](https://data.pdbj.org/pdbjplus/data/cc/svg/TGT.svg) | TGT | Name: | TAGETITOXIN | Formula: | C11 H17 N2 O11 P S | SMILES: | O=C(N)C1(O)SCC2(OC1C(OC(=O)C)C(N)C2OP(=O)(O)O)C(=O)O | InChi: | InChI=1S/C11H17N2O11PS/c1-3(14)22-5-4(12)6(24-25(19,20)21)10(9(16)17)2-26-11(18,8(13)15)7(5)23-10/h4-7,18H,2,12H2,1H3,(H2,13,15)(H,16,17)(H2,19,20,21)/t4-,5+,6+,7+,10+,11+/m0/s1 | Synonyms: | (1R,4R,5R,6R,7S,8R)-6-ACETOXY-7-AMINO-4-CARBAMOYL-4-HYDROXY-8-(PHOSPHONOOXY)-9-OXA-3-THIABICYCLO[3.3.1]NONANE-1-CARBOXY
LIC ACID | Definition date: | 2005-11-01 | Last modified: | 2020-06-17 | Identifier: | (1R,4R,5R,6R,7S,8R)-6-(acetyloxy)-7-amino-4-carbamoyl-4-hydroxy-8-(phosphonooxy)-9-oxa-3-thiabicyclo[3.3.1]nonane-1-carboxylic acid (non-preferred name) |
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![BAV BAV](https://data.pdbj.org/pdbjplus/data/cc/svg/BAV.svg) | BAV | Name: | (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-
dione | Formula: | C29 H49 N3 O3 | SMILES: | O=C2NC(C(O)CNCc1cccc(c1)C(C)C)CC(C)CCCCCCCCC(=O)N(C)C2C | InChi: | InChI=1S/C29H49N3O3/c1-21(2)25-15-12-14-24(18-25)19-30-20-27(33)26-17-22(3)13-10-8-6-7-9-11-16-28(34)32(5)23(4)29(35)31-26/h12,14-15,18,21-23,26-27,30,33H,6-11,13,16-17,19-20H2,1-5H3,(H,31,35)/t22-,23+,26+,27-/m1/s1 | Synonyms: | (3S,14R,16S)-16-[(R)-1-Hydroxy-2-(3-isopropyl-benzylamino)-ethyl]-3,4,14-trimethyl-1,4diaza-cyclohexadecane-2,5-dione | Definition date: | 2008-07-21 | Last modified: | 2020-06-17 | Identifier: | (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione |
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![BAX BAX](https://data.pdbj.org/pdbjplus/data/cc/svg/BAX.svg) | BAX | Name: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE | Formula: | C21 H16 Cl F3 N4 O3 | SMILES: | O=C(c3nccc(Oc2ccc(NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)cc2)c3)NC | InChi: | InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | Synonyms: | Sorafenib | Definition date: | 2004-02-05 | Last modified: | 2020-06-17 | Identifier: | 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide |
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![TH7 TH7](https://data.pdbj.org/pdbjplus/data/cc/svg/TH7.svg) | TH7 | Name: | 2,4-dihydroxybenzenesulfenic acid | Formula: | C6 H6 O3 S | SMILES: | OSc1ccc(O)cc1O | InChi: | InChI=1S/C6H6O3S/c7-4-1-2-6(10-9)5(8)3-4/h1-3,7-9H | Synonyms: | 4-HYDROXYSULFANYLBENZENE-1,3-DIOL | Definition date: | 2009-12-22 | Last modified: | 2020-06-17 | Identifier: | 4-hydroxysulfanylbenzene-1,3-diol |
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