 | | LY7 | | Name: | N-[(2S)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide | | Formula: | C19 H22 N2 O2 S | | SMILES: | CC(C)[S](=O)(=O)NC[CH](C)c1ccc(cc1)c2ccc(cc2)C#N | | InChi: | InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3/t15-/m1/s1 | | Definition date: | 2009-12-08 | | Last modified: | 2011-06-04 | | Identifier: | N-[(2S)-2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide |
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 | | LYX | | Name: | N''-(2-COENZYME A)-PROPANOYL-LYSINE | | Formula: | C30 H52 N9 O19 P3 S | | SMILES: | O=C(O)C(N)CCCCNC(=O)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C | | InChi: | InChI=1S/C30H52N9O19P3S/c1-16(26(43)34-8-5-4-6-17(31)29(45)46)62-11-10-33-19(40)7-9-35-27(44)23(42)30(2,3)13-55-61(52,53)58-60(50,51)54-12-18-22(57-59(47,48)49)21(41)28(56-18)39-15-38-20-24(32)36-14-37-25(20)39/h14-18,21-23,28,41-42H,4-13,31H2,1-3H3,(H,33,40)(H,34,43)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,32,36,37)(H2,47,48,49)/t16-,17-,18+,21+,22+,23-,28+/m0/s1 | | Definition date: | 2002-07-22 | | Last modified: | 2011-06-04 | | Identifier: | (3S,5R,9R,19S,26S)-26-amino-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,19-trimethyl-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name) |
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 | | LZB | | Name: | 5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Formula: | C10 H10 Cl N5 | | SMILES: | N#Cc1cnn2c(cc(Cl)nc12)NC(C)C | | InChi: | InChI=1S/C10H10ClN5/c1-6(2)14-9-3-8(11)15-10-7(4-12)5-13-16(9)10/h3,5-6,14H,1-2H3 | | Definition date: | 2008-05-15 | | Last modified: | 2011-06-04 | | Identifier: | 5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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 | | LZC | | Name: | 5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE | | Formula: | C16 H23 N7 | | SMILES: | N#Cc1cnn2c(cc(nc12)NC3CCC(N)CC3)NC(C)C | | InChi: | InChI=1S/C16H23N7/c1-10(2)20-15-7-14(21-13-5-3-12(18)4-6-13)22-16-11(8-17)9-19-23(15)16/h7,9-10,12-13,20H,3-6,18H2,1-2H3,(H,21,22)/t12-,13- | | Definition date: | 2008-05-15 | | Last modified: | 2011-06-04 | | Identifier: | 5-[(trans-4-aminocyclohexyl)amino]-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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 | | 5BE | | Name: | 3-methyl-5-[5-(1-methylethyl)-1H-benzimidazol-2-yl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide | | Formula: | C21 H28 N6 O | | SMILES: | O=C(c3c(c2nc1cc(ccc1n2)C(C)C)nnc3C)NC4CCN(C)CC4 | | InChi: | InChI=1S/C21H28N6O/c1-12(2)14-5-6-16-17(11-14)24-20(23-16)19-18(13(3)25-26-19)21(28)22-15-7-9-27(4)10-8-15/h5-6,11-12,15H,7-10H2,1-4H3,(H,22,28)(H,23,24)(H,25,26) | | Definition date: | 2010-06-23 | | Last modified: | 2011-06-04 | | Identifier: | 3-methyl-N-(1-methylpiperidin-4-yl)-5-[5-(propan-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazole-4-carboxamide |
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 | | 5CA | | Name: | 5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE | | Formula: | C13 H19 N7 O7 S2 | | SMILES: | O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CS | | InChi: | InChI=1S/C13H19N7O7S2/c14-5(2-28)12(23)19-29(24,25)26-1-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22,28H,1-2,14H2,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1 | | Definition date: | 2003-01-07 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-(L-cysteinylsulfamoyl)adenosine |
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 | | 5CS | | Name: | 2-AMINO-3-(CYSTEIN-S-YL)-ISOXAZOLIDIN-5-YL-ACETIC ACID | | Formula: | C8 H15 N3 O5 S | | SMILES: | O=C(O)C(N)C1ONC(SCC(N)C(=O)O)C1 | | InChi: | InChI=1S/C8H15N3O5S/c9-3(7(12)13)2-17-5-1-4(16-11-5)6(10)8(14)15/h3-6,11H,1-2,9-10H2,(H,12,13)(H,14,15)/t3-,4+,5+,6-/m0/s1 | | Definition date: | 2003-04-10 | | Last modified: | 2011-06-04 | | Identifier: | S-{(3R,5R)-5-[(S)-amino(carboxy)methyl]isoxazolidin-3-yl}-L-cysteine |
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 | | M44 | | Name: | N,N'-bis(1-methylethyl)phosphorodiamidic acid | | Formula: | C6 H17 N2 O2 P | | SMILES: | CC(C)N[P](O)(=O)NC(C)C | | InChi: | InChI=1S/C6H17N2O2P/c1-5(2)7-11(9,10)8-6(3)4/h5-6H,1-4H3,(H3,7,8,9,10) | | Definition date: | 2010-01-18 | | Last modified: | 2011-06-04 | | Identifier: | bis(propan-2-ylamino)phosphinic acid |
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 | | 5FE | | Name: | 5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-METHYL-2-[3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-PENTANOYLAMINO)-PROPIONYLAMINO]-PENTANOIC ACID METHYL ESTER | | Formula: | C29 H47 F6 N5 O9 | | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(C(F)(F)F)C(O)CC(=O)NC(C(=O)NC(C(O)CC(=O)OC)C(F)(F)F)C)C(C)C)C(C)C)CC(C)C | | InChi: | InChI=1S/C29H47F6N5O9/c1-12(2)9-18(43)37-21(13(3)4)26(47)38-22(14(5)6)27(48)40-23(28(30,31)32)16(41)10-19(44)36-15(7)25(46)39-24(29(33,34)35)17(42)11-20(45)49-8/h12-17,21-24,41-42H,9-11H2,1-8H3,(H,36,44)(H,37,43)(H,38,47)(H,39,46)(H,40,48)/t15-,16-,17-,21-,22-,23+,24+/m0/s1 | | Definition date: | 2004-09-16 | | Last modified: | 2011-06-04 | | Identifier: | methyl (6S,9S,12R,13S,17S,20R,21S)-13,21-dihydroxy-2,17-dimethyl-4,7,10,15,18-pentaoxo-6,9-di(propan-2-yl)-12,20-bis(trifluoromethyl)-5,8,11,16,19-pentaazatricosan-23-oate (non-preferred name) |
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 | | 5FP | | Name: | 5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-METHYL-2-[3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-PENTANOYLAMINO)-PROPIONYLAMINO]-PENTANOIC ACID | | Formula: | C28 H45 F6 N5 O9 | | SMILES: | O=C(NC(C(O)CC(=O)O)C(F)(F)F)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)C(F)(F)F)C | | InChi: | InChI=1S/C28H45F6N5O9/c1-11(2)8-17(42)36-20(12(3)4)25(47)37-21(13(5)6)26(48)39-22(27(29,30)31)15(40)9-18(43)35-14(7)24(46)38-23(28(32,33)34)16(41)10-19(44)45/h11-16,20-23,40-41H,8-10H2,1-7H3,(H,35,43)(H,36,42)(H,37,47)(H,38,46)(H,39,48)(H,44,45)/t14-,15-,16-,20-,21-,22+,23+/m0/s1 | | Definition date: | 2004-09-16 | | Last modified: | 2011-06-04 | | Identifier: | (6S,9S,12R,13S,17S,20R,21S)-13,21-dihydroxy-2,17-dimethyl-4,7,10,15,18-pentaoxo-6,9-di(propan-2-yl)-12,20-bis(trifluoromethyl)-5,8,11,16,19-pentaazatricosan-23-oic acid (non-preferred name) |
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 | | 5FW | | Name: | ISOPRENALINE | | Formula: | C11 H17 N O3 | | SMILES: | CC(C)NC[CH](O)c1ccc(O)c(O)c1 | | InChi: | InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1 | | Definition date: | 2010-11-30 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol |
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 | | 5HI | | Name: | (3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid | | Formula: | C28 H34 F N3 O6 | | SMILES: | O=C(O)CC(O)CC(O)CCn2c(c(nc2c1ccc(F)cc1)C(=O)NC(c3ccccc3)CO)C(C)C | | InChi: | InChI=1S/C28H34FN3O6/c1-17(2)26-25(28(38)30-23(16-33)18-6-4-3-5-7-18)31-27(19-8-10-20(29)11-9-19)32(26)13-12-21(34)14-22(35)15-24(36)37/h3-11,17,21-23,33-35H,12-16H2,1-2H3,(H,30,38)(H,36,37)/t21-,22-,23-/m1/s1 | | Definition date: | 2008-02-27 | | Last modified: | 2011-06-04 | | Identifier: | (3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid |
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 | | M80 | | Name: | 3-[4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)PHENYL]PROPANOIC ACID | | Formula: | C26 H26 N2 O5 | | SMILES: | O=C(O)CCc1ccc(cc1)NC(=O)C(NC(=O)OCc2ccccc2)Cc3ccccc3 | | InChi: | InChI=1S/C26H26N2O5/c29-24(30)16-13-19-11-14-22(15-12-19)27-25(31)23(17-20-7-3-1-4-8-20)28-26(32)33-18-21-9-5-2-6-10-21/h1-12,14-15,23H,13,16-18H2,(H,27,31)(H,28,32)(H,29,30)/t23-/m0/s1 | | Definition date: | 2010-03-31 | | Last modified: | 2011-06-04 | | Identifier: | 3-[4-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)phenyl]propanoic acid |
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 | | 5IN | | Name: | N-(BENZYLSULFONYL)-L-SERYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-O-BENZYL-L-SERINAMIDE | | Formula: | C28 H33 N5 O6 S | | SMILES: | O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(C(=[N@H])N)cc1)COCc2ccccc2)CO)Cc3ccccc3 | | InChi: | InChI=1S/C28H33N5O6S/c29-26(30)23-13-11-20(12-14-23)15-31-27(35)25(18-39-17-21-7-3-1-4-8-21)32-28(36)24(16-34)33-40(37,38)19-22-9-5-2-6-10-22/h1-14,24-25,33-34H,15-19H2,(H3,29,30)(H,31,35)(H,32,36)/t24-,25+/m1/s1 | | Definition date: | 2004-02-25 | | Last modified: | 2011-06-04 | | Identifier: | N-(benzylsulfonyl)-D-seryl-O-benzyl-N-(4-carbamimidoylbenzyl)-L-serinamide |
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 | | M84 | | Name: | 3-{4-[(PHENYLCARBONYL)AMINO]PHENYL}PROPANOIC ACID | | Formula: | C16 H15 N O3 | | SMILES: | O=C(Nc1ccc(cc1)CCC(=O)O)c2ccccc2 | | InChi: | InChI=1S/C16H15NO3/c18-15(19)11-8-12-6-9-14(10-7-12)17-16(20)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,17,20)(H,18,19) | | Definition date: | 2010-03-31 | | Last modified: | 2011-06-04 | | Identifier: | 3-{4-[(phenylcarbonyl)amino]phenyl}propanoic acid |
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 | | 5JZ | | Name: | N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide | | Formula: | C36 H38 N8 O5 | | SMILES: | O=C(N2c1ccccc1CCC2)c3ccc4ncn(c4c3)c5nc(nc(OCC)n5)NC(C(=O)NC)Cc6ccc7OC(OCc7c6)(C)C | | InChi: | InChI=1S/C36H38N8O5/c1-5-47-35-41-33(39-27(31(45)37-4)18-22-12-15-30-25(17-22)20-48-36(2,3)49-30)40-34(42-35)44-21-38-26-14-13-24(19-29(26)44)32(46)43-16-8-10-23-9-6-7-11-28(23)43/h6-7,9,11-15,17,19,21,27H,5,8,10,16,18,20H2,1-4H3,(H,37,45)(H,39,40,41,42)/t27-/m0/s1 | | Definition date: | 2009-05-04 | | Last modified: | 2011-06-04 | | Identifier: | N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide |
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 | | DP7 | | Name: | AC-(D)PHE-PRO-BOROARG-OH | | Formula: | C21 H33 B N6 O5 | | SMILES: | O=C(NC(B(O)O)CCCNC(=[N@H])N)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2 | | InChi: | InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-acetyl-D-phenylalanyl-N-[(1R)-4-carbamimidamido-1-(dihydroxyboranyl)butyl]-L-prolinamide |
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 | | DPD | | Name: | N-(3,3,-DIPHENYLPROPYL)-N'-[1-R-(2 3,4-BIS-BUTOXYPHENYL)-ETHYL]-PROPYLENEDIAMINE | | Formula: | C34 H48 N2 O2 | | SMILES: | O(c1cc(ccc1OCCCC)C(NCCCNCCC(c2ccccc2)c3ccccc3)C)CCCC | | InChi: | InChI=1S/C34H48N2O2/c1-4-6-25-37-33-20-19-31(27-34(33)38-26-7-5-2)28(3)36-23-14-22-35-24-21-32(29-15-10-8-11-16-29)30-17-12-9-13-18-30/h8-13,15-20,27-28,32,35-36H,4-7,14,21-26H2,1-3H3/t28-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-[(1R)-1-(3,4-dibutoxyphenyl)ethyl]-N'-(3,3-diphenylpropyl)propane-1,3-diamine |
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 | | DPS | | Name: | 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID | | Formula: | C28 H29 N3 O4 S | | SMILES: | O=C(O)C(NS(=O)(=O)c1ccc(cc1)N3CCC(c2ccccc2)CC3)Cc5c4ccccc4nc5 | | InChi: | InChI=1S/C28H29N3O4S/c32-28(33)27(18-22-19-29-26-9-5-4-8-25(22)26)30-36(34,35)24-12-10-23(11-13-24)31-16-14-21(15-17-31)20-6-2-1-3-7-20/h1-13,19,21,27,29-30H,14-18H2,(H,32,33)/t27-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-{[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyl}-L-tryptophan |
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 | | 5MR | | Name: | NALPHA-{(2S)-3-[(S)-HYDROXY(PHENYL)PHOSPHORYL]-2-[(3-PHENYLISOXAZOL-5-YL)METHYL]PROPANOYL}-L-TRYPTOPHANAMIDE | | Formula: | C30 H29 N4 O5 P | | SMILES: | O=C(N)C(NC(=O)C(CP(=O)(O)c1ccccc1)Cc3onc(c2ccccc2)c3)Cc5c4ccccc4nc5 | | InChi: | InChI=1S/C30H29N4O5P/c31-29(35)28(16-21-18-32-26-14-8-7-13-25(21)26)33-30(36)22(19-40(37,38)24-11-5-2-6-12-24)15-23-17-27(34-39-23)20-9-3-1-4-10-20/h1-14,17-18,22,28,32H,15-16,19H2,(H2,31,35)(H,33,36)(H,37,38)/t22-,28+/m1/s1 | | Definition date: | 2007-02-16 | | Last modified: | 2011-06-04 | | Identifier: | Nalpha-{(2S)-3-[(S)-hydroxy(phenyl)phosphoryl]-2-[(3-phenylisoxazol-5-yl)methyl]propanoyl}-L-tryptophanamide |
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 | | DRR | | Name: | (9S,12S)-9-(1-methylethyl)-N-[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxamide | | Formula: | C37 H51 N5 O7 | | SMILES: | O=C3NC(C(=O)NC(C(=O)NC2C(=O)NC(C(=O)NCCCOc1ccc(cc1)C2)C(C)CC)Cc4ccc(OCCCC3)cc4)C(C)C | | InChi: | InChI=1S/C37H51N5O7/c1-5-24(4)33-36(46)38-18-8-20-49-28-16-12-26(13-17-28)22-30(35(45)42-33)39-34(44)29-21-25-10-14-27(15-11-25)48-19-7-6-9-31(43)41-32(23(2)3)37(47)40-29/h10-17,23-24,29-30,32-33H,5-9,18-22H2,1-4H3,(H,38,46)(H,39,44)(H,40,47)(H,41,43)(H,42,45)/t24-,29-,30-,32-,33-/m0/s1 | | Definition date: | 2008-01-15 | | Last modified: | 2011-06-04 | | Identifier: | (9S,12S)-9-(1-methylethyl)-N-[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxamide |
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 | | DRS | | Name: | (9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid | | Formula: | C19 H26 N2 O5 | | SMILES: | O=C(O)C2NC(=O)C(NC(=O)CCCCOc1ccc(cc1)C2)C(C)C | | InChi: | InChI=1S/C19H26N2O5/c1-12(2)17-18(23)20-15(19(24)25)11-13-6-8-14(9-7-13)26-10-4-3-5-16(22)21-17/h6-9,12,15,17H,3-5,10-11H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/t15-,17-/m0/s1 | | Definition date: | 2008-01-15 | | Last modified: | 2011-06-04 | | Identifier: | (9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid |
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 | | 6HE | | Name: | 6-METHY-6-DEPROPIONATEHEMIN | | Formula: | C32 H30 Fe N4 O2 | | SMILES: | O=C(O)CCc8c(c1n5c8C=C4C(=C(C3=Cc6c(C=C)c(c7C=C2C(C=C)=C(C(=C1)N2[Fe]5(N34)n67)C)C)C)C)C | | InChi: | InChI=1S/C32H30N4O2.Fe/c1-8-21-18(5)26-12-27-20(7)23(10-11-32(37)38)31(36-27)14-25-17(4)16(3)24(33-25)13-29-22(9-2)19(6)28(35-29)15-30(21)34-26 | | Definition date: | 2007-03-29 | | Last modified: | 2011-06-04 | | Identifier: | [3-(8,13-diethenyl-3,7,12,17,18-pentamethyl-22,24-dihydroporphyrin-2-yl-kappa~4~N~21~,N~22~,N~23~,N~24~)propanoato(4-)]iron |
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 | | 6HI | | Name: | (3R,5R)-7-{2-[(4-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(1-methylethyl)-1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid | | Formula: | C27 H31 F2 N3 O5 | | SMILES: | O=C(NCc1ccc(F)cc1)c2nc(c(n2C(C)C)CCC(O)CC(O)CC(=O)O)c3ccc(F)cc3 | | InChi: | InChI=1S/C27H31F2N3O5/c1-16(2)32-23(12-11-21(33)13-22(34)14-24(35)36)25(18-5-9-20(29)10-6-18)31-26(32)27(37)30-15-17-3-7-19(28)8-4-17/h3-10,16,21-22,33-34H,11-15H2,1-2H3,(H,30,37)(H,35,36)/t21-,22-/m1/s1 | | Definition date: | 2008-02-27 | | Last modified: | 2011-06-04 | | Identifier: | (3R,5R)-7-{2-[(4-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(1-methylethyl)-1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid |
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 | | DTE | | Name: | 7-CL-D-TRYPTOPHAN | | Formula: | C11 H11 Cl N2 O2 | | SMILES: | O=C(O)C(N)Cc2c1cccc(Cl)c1nc2 | | InChi: | InChI=1S/C11H11ClN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m1/s1 | | Definition date: | 2007-07-30 | | Last modified: | 2011-06-04 | | Identifier: | 7-chloro-D-tryptophan |
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