 | | GZZ | | Name: | N-{8-[(8-{[(E)-AMINO(IMINO)METHYL]AMINO}OCTYL)AMINO]OCTYL}GUANIDINE | | Formula: | C18 H41 N7 | | SMILES: | [N@H]=C(N)NCCCCCCCCNCCCCCCCCNC(=[N@H])N | | InChi: | InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25) | | Synonyms: | GUAZATINE | | Definition date: | 2001-01-25 | | Last modified: | 2020-06-17 | | Identifier: | N,N'''-(iminodioctane-8,1-diyl)diguanidine |
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 | | H02 | | Name: | N-METHYL PROTOPORPHYRIN IX 2,4-DISULFONIC ACID | | Formula: | C35 H42 N4 O4 | | SMILES: | O=C(O)CCC5=C(C=2NC5=Cc1c(c(c(n1)C=C4C(=C(C(=Cc3nc(C=2)c(c3CC)C)N4C)C)CC)C)CCC(=O)O)C | | InChi: | InChI=1S/C35H42N4O4/c1-8-22-18(3)26-14-27-19(4)24(10-12-34(40)41)29(36-27)15-30-25(11-13-35(42)43)20(5)28(38-30)16-33-23(9-2)21(6)32(39(33)7)17-31(22)37-26/h14-17,36-38H,8-13H2,1-7H3,(H,40,41)(H,42,43)/b26-14-,27-14-,28-16-,29-15-,30-15-,31-17-,32-17-,33-16- | | Synonyms: | 3,3'-(7,12-DIETHYL-3,8,13,17,22-PENTAMETHYL-22,24-DIHYDROPORPHYRIN-2,18-DIYL)DIPROPANOIC ACID | | Definition date: | 2007-06-15 | | Last modified: | 2020-06-17 | | Identifier: | 3,3'-(7,12-diethyl-3,8,13,17,22-pentamethyl-22,24-dihydroporphyrin-2,18-diyl)dipropanoic acid |
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 | | H1L | | Name: | (2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid | | Formula: | C15 H11 Cl F3 N O4 | | SMILES: | O=C(O)C(Oc2ccc(Oc1ncc(cc1Cl)C(F)(F)F)cc2)C | | InChi: | InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1 | | Synonyms: | HALOXYFOP INHIBITOR, R enantiomer | | Definition date: | 2004-03-02 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid |
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 | | H2B | | Name: | 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE | | Formula: | C9 H13 N5 O3 | | SMILES: | O=C1N=C(N=C2NCC(N=C12)C(O)C(O)C)N | | InChi: | InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,15-16H,2H2,1H3,(H3,10,11,13,14,17)/t3-,4+,6-/m0/s1 | | Synonyms: | QUINONOID 7,8-TETRAHYDROBIOPTERIN | | Definition date: | 1999-12-16 | | Last modified: | 2020-06-17 | | Identifier: | (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydropteridin-4(6H)-one |
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 | | H4C | | Name: | 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium | | Formula: | C17 H16 Cl N4 S | | SMILES: | Clc4ccccc4C2=NCc1nnc([n+]1c3sc(cc23)CC)C | | InChi: | InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3/p+1 | | Synonyms: | 7-(2-chlorophenyl)-4-ethyl-13-methyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene | | Definition date: | 2013-09-17 | | Last modified: | 2020-06-17 | | Release date: | 2013-10-02 | | Identifier: | 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium |
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 | | KIR | | Name: | KIRROMYCIN | | Formula: | C43 H60 N2 O12 | | SMILES: | O=C1NC=CC(O)=C1C(=O)C(=CC=CC=CC2OC(C(O)C2O)C(C)C(OC)C(=CC=CCNC(=O)C(CC)C3(O)OC(C=CC=C/C)C(C(O)C3O)(C)C)C)C | | InChi: | InChI=1S/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)/b11-9-,14-12+,17-16+,20-15+,21-13+,25-18+,26-19+/t27-,28-,30-,31+,34+,35+,36-,37+,38+,39-,43-/m1/s1 | | Synonyms: | MOCIMYCIN | | Definition date: | 2002-04-10 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]tetrahydrofuran-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide (non-preferred name) |
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 | | KIV | | Name: | 3-METHYL-2-OXOBUTANOIC ACID | | Formula: | C5 H8 O3 | | SMILES: | O=C(C(=O)O)C(C)C | | InChi: | InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8) | | Synonyms: | ALPHA-KETOISOVALERIC ACID | | Definition date: | 2001-01-16 | | Last modified: | 2020-06-17 | | Identifier: | 3-methyl-2-oxobutanoic acid |
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 | | KKN | | Name: | 3-methyl-2H-furo[2,3-c]pyran-2-one | | Formula: | C8 H6 O3 | | SMILES: | O=C2OC1=COC=CC1=C2C | | InChi: | InChI=1S/C8H6O3/c1-5-6-2-3-10-4-7(6)11-8(5)9/h2-4H,1H3 | | Synonyms: | Karrikin KAR1 | | Definition date: | 2013-04-08 | | Last modified: | 2020-06-17 | | Release date: | 2013-05-08 | | Identifier: | 3-methyl-2H-furo[2,3-c]pyran-2-one |
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 | | 393 | | Name: | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | | Formula: | C16 H13 Cl N2 O6 | | SMILES: | O=C(c1c(OCC(=O)O)cc(Cl)cc1)NCc2cccc([N+]([O-])=O)c2 | | InChi: | InChI=1S/C16H13ClN2O6/c17-11-4-5-13(14(7-11)25-9-15(20)21)16(22)18-8-10-2-1-3-12(6-10)19(23)24/h1-7H,8-9H2,(H,18,22)(H,20,21) | | Synonyms: | IDD393 | | Definition date: | 2006-10-05 | | Last modified: | 2020-06-17 | | Identifier: | {5-chloro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid |
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 | | 394 | | Name: | R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | | Formula: | C23 H26 F N O4 | | SMILES: | O=C(O)c1ccc(c(F)c1)NC(=O)C(O)c2ccc3c(c2)C(CCC3(C)C)(C)C | | InChi: | InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m1/s1 | | Synonyms: | BMS270394 | | Definition date: | 2000-05-08 | | Last modified: | 2020-06-17 | | Identifier: | 3-fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino}benzoic acid |
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 | | 39A | | Name: | 6-AMINO-3,9-DIMETHYL-9H-PURIN-3-IUM | | Formula: | C7 H10 N5 | | SMILES: | n2c[n+](c1c(ncn1C)c2N)C | | InChi: | InChI=1S/C7H9N5/c1-11-3-9-5-6(8)10-4-12(2)7(5)11/h3-4,8H,1-2H3/p+1 | | Synonyms: | 3,9-DIMETHYLADENINE | | Definition date: | 2003-07-07 | | Last modified: | 2020-06-17 | | Identifier: | 6-amino-3,9-dimethyl-9H-purin-3-ium |
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 | | KLT | | Name: | 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide | | Formula: | C14 H11 Cl N2 O4 S | | SMILES: | O=S(=O)(N)c1c(Cl)ccc(c1)C2(O)c3ccccc3C(=O)N2 | | InChi: | InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)/t14-/m0/s1 | | Synonyms: | chlorthalidone | | Definition date: | 2008-11-11 | | Last modified: | 2020-06-17 | | Identifier: | 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl]benzenesulfonamide |
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 | | 3AA | | Name: | 3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATE | | Formula: | C20 H29 N7 O16 P3 | | SMILES: | Nc1ccc[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C20H28N7O16P3/c21-9-2-1-3-26(4-9)19-15(30)13(28)10(40-19)5-38-45(34,35)43-46(36,37)39-6-11-14(29)16(42-44(31,32)33)20(41-11)27-8-25-12-17(22)23-7-24-18(12)27/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6,21H2,(H5-,22,23,24,31,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1 | | Synonyms: | ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) 2'-(DIHYDROGEN PHOSPHATE)ESTER WITH 3-(AMINO)-1-BETA-D-RIBOFURANOSYLPYRIDINIUM
INNER SALT | | Definition date: | 2000-06-27 | | Last modified: | 2020-06-17 | | Identifier: | [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-aminopyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate |
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 | | 3AG | | Name: | 2-[METHYL-(4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE | | Formula: | C9 H18 N O7 P2 | | SMILES: | CN(CCO[P]([O-])(=O)O[P]([O-])([O-])=O)CCC=C(C)C | | InChi: | InChI=1S/C9H21NO7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5H,4,6-8H2,1-3H3,(H,14,15)(H2,11,12,13)/p-3 | | Synonyms: | 3-AZA-2,3-DIHYDROGERANYL DIPHOSPHATE | | Definition date: | 2002-11-06 | | Last modified: | 2020-06-17 | | Identifier: | [2-(methyl-(4-methylpent-3-enyl)amino)ethoxy-oxido-phosphoryl] phosphate |
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 | | 3AM | | Name: | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate | | Formula: | C10 H14 N5 O7 P | | SMILES: | O=P(O)(O)OC3C(OC(n2cnc1c(ncnc12)N)C3O)CO | | InChi: | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | | Synonyms: | 3'-AMP | | Definition date: | 2008-01-23 | | Last modified: | 2020-06-17 | | Identifier: | 3'-adenylic acid |
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 | | 3AW | | Name: | 6-METHYL-1,3,5-TRIAZINE-2,4-DIAMINE | | Formula: | C4 H7 N5 | | SMILES: | n1c(nc(nc1C)N)N | | InChi: | InChI=1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9) | | Synonyms: | ACETOGUANAMINE | | Definition date: | 2009-11-13 | | Last modified: | 2020-06-17 | | Identifier: | 6-methyl-1,3,5-triazine-2,4-diamine |
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 | | 3AX | | Name: | 1H-pyrazol-5-amine | | Formula: | C3 H5 N3 | | SMILES: | n1ccc(N)n1 | | InChi: | InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6) | | Synonyms: | 3-Aminopyrazole | | Definition date: | 2013-10-23 | | Last modified: | 2020-06-17 | | Release date: | 2013-11-06 | | Identifier: | 1H-pyrazol-5-amine |
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 | | 3B5 | | Name: | AIK-18/51 | | Formula: | C30 H38 N9 O4 S | | SMILES: | O=C(Nc1nc(C(=O)NCCC[NH+](C)C)c(s1)C(C)C)c4cc(NC(=O)c3cc(NC(=O)c2cccnc2)cn3C)cn4C | | InChi: | InChI=1S/C30H37N9O4S/c1-18(2)25-24(29(43)32-11-8-12-37(3)4)35-30(44-25)36-28(42)23-14-21(17-39(23)6)34-27(41)22-13-20(16-38(22)5)33-26(40)19-9-7-10-31-15-19/h7,9-10,13-18H,8,11-12H2,1-6H3,(H,32,43)(H,33,40)(H,34,41)(H,35,36,42)/p+1 | | Synonyms: | N,N-dimethyl-3-[({2-[({1-methyl-4-[({1-methyl-4-[(pyridin-3-ylcarbonyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-1H-pyrrol-
2-yl}carbonyl)amino]-5-(propan-2-yl)-1,3-thiazol-4-yl}carbonyl)amino]propan-1-aminium | | Definition date: | 2014-07-17 | | Last modified: | 2020-06-17 | | Release date: | 2014-07-30 | | Identifier: | N,N-dimethyl-3-[({2-[({1-methyl-4-[({1-methyl-4-[(pyridin-3-ylcarbonyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-5-(propan-2-yl)-1,3-thiazol-4-yl}carbonyl)amino]propan-1-aminium |
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 | | KNJ | | Name: | (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop
-2-en-1-yl)-1,3-thiazolidine-4-carboxamide | | Formula: | C30 H40 N4 O5 S | | SMILES: | O=C(NCC(=C)/C)C3N(C(=O)C(O)C(NC(=O)COc1c(cc(N)cc1C)C)Cc2ccccc2)CSC3(C)C | | InChi: | InChI=1S/C30H40N4O5S/c1-18(2)15-32-28(37)27-30(5,6)40-17-34(27)29(38)25(36)23(14-21-10-8-7-9-11-21)33-24(35)16-39-26-19(3)12-22(31)13-20(26)4/h7-13,23,25,27,36H,1,14-17,31H2,2-6H3,(H,32,37)(H,33,35)/t23-,25-,27+/m0/s1 | | Synonyms: | KNI-1689 | | Definition date: | 2009-05-29 | | Last modified: | 2020-06-17 | | Identifier: | (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop-2-en-1-yl)-1,3-thiazolidine-4-carboxamide |
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 | | 3BK | | Name: | (2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol | | Formula: | C17 H18 Cl2 N6 O4 | | SMILES: | Clc1ccc(cc1Cl)CNc3nc2c(ncnc2n3C4OC(C(O)C4O)CO)N | | InChi: | InChI=1S/C17H18Cl2N6O4/c18-8-2-1-7(3-9(8)19)4-21-17-24-11-14(20)22-6-23-15(11)25(17)16-13(28)12(27)10(5-26)29-16/h1-3,6,10,12-13,16,26-28H,4-5H2,(H,21,24)(H2,20,22,23)/t10-,12-,13-,16-/m1/s1 | | Synonyms: | 8-[(3,4-dichlorobenzyl)amino]adenosine | | Definition date: | 2009-01-28 | | Last modified: | 2020-06-17 | | Identifier: | 8-[(3,4-dichlorobenzyl)amino]adenosine |
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 | | KNW | | Name: | (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-
dihydro-1,4-benzoxazine-2-carboxylic acid | | Formula: | C30 H30 Cl F N2 O7 | | SMILES: | OC(=O)CCCN1C[CH](Oc2c(NC(=O)c3ccc(OCCCCc4cc(F)ccc4Cl)cc3)cccc12)C(O)=O | | InChi: | InChI=1S/C30H30ClFN2O7/c31-23-14-11-21(32)17-20(23)5-1-2-16-40-22-12-9-19(10-13-22)29(37)33-24-6-3-7-25-28(24)41-26(30(38)39)18-34(25)15-4-8-27(35)36/h3,6-7,9-14,17,26H,1-2,4-5,8,15-16,18H2,(H,33,37)(H,35,36)(H,38,39)/t26-/m0/s1 | | Synonyms: | ONO-2570366 | | Definition date: | 2019-06-13 | | Last modified: | 2020-06-17 | | Release date: | 2019-12-11 | | Identifier: | (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid |
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 | | KNZ | | Name: | (2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but
yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid | | Formula: | C30 H29 F3 N2 O8 | | SMILES: | OC(=O)CCCN1C[CH](Oc2c(NC(=O)c3ccc(OCCCCOc4cccc(F)c4F)cc3F)cccc12)C(O)=O | | InChi: | InChI=1S/C30H29F3N2O8/c31-20-6-3-9-24(27(20)33)42-15-2-1-14-41-18-11-12-19(21(32)16-18)29(38)34-22-7-4-8-23-28(22)43-25(30(39)40)17-35(23)13-5-10-26(36)37/h3-4,6-9,11-12,16,25H,1-2,5,10,13-15,17H2,(H,34,38)(H,36,37)(H,39,40)/t25-/m0/s1 | | Synonyms: | ONO-2080365 | | Definition date: | 2019-06-13 | | Last modified: | 2020-06-17 | | Release date: | 2019-12-11 | | Identifier: | (2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid |
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 | | 3BS | | Name: | 3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide | | Formula: | C16 H25 Cl N4 O3 S2 | | SMILES: | O=S(=O)(N)c1ccc(c(Cl)c1)NC(=S)NC2CC(N(O)C(C)(C)C2)(C)C | | InChi: | InChI=1S/C16H25ClN4O3S2/c1-15(2)8-10(9-16(3,4)21(15)22)19-14(25)20-13-6-5-11(7-12(13)17)26(18,23)24/h5-7,10,22H,8-9H2,1-4H3,(H2,18,23,24)(H2,19,20,25) | | Synonyms: | (4-{[(2-chloro-4-sulfamoylphenyl)carbamothioyl]amino}-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl | | Definition date: | 2008-09-12 | | Last modified: | 2020-06-17 | | Identifier: | 3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide |
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 | | 3BT | | Name: | 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | | Formula: | C12 H18 N4 S2 | | SMILES: | S(C(=[N@H])N)CCc1cccc(c1)CCSC(=[N@H])N | | InChi: | InChI=1S/C12H18N4S2/c13-11(14)17-6-4-9-2-1-3-10(8-9)5-7-18-12(15)16/h1-3,8H,4-7H2,(H3,13,14)(H3,15,16) | | Synonyms: | S,S'-(1,3-PHENYLENE-BIS(1,2-ETHANEDIYL))BIS-ISOTHIOUREA | | Definition date: | 1999-09-23 | | Last modified: | 2020-06-17 | | Identifier: | benzene-1,3-diyldiethane-2,1-diyl bis(imidothiocarbamate) |
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 | | KO5 | | Name: | (2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih
ydro-1,4-benzoxazine-2-carboxylic acid | | Formula: | C31 H33 F N2 O7 | | SMILES: | Cc1ccc(F)cc1CCCCOc2ccc(cc2)C(=O)Nc3cccc4N(CCCC(O)=O)C[CH](Oc34)C(O)=O | | InChi: | InChI=1S/C31H33FN2O7/c1-20-10-13-23(32)18-22(20)6-2-3-17-40-24-14-11-21(12-15-24)30(37)33-25-7-4-8-26-29(25)41-27(31(38)39)19-34(26)16-5-9-28(35)36/h4,7-8,10-15,18,27H,2-3,5-6,9,16-17,19H2,1H3,(H,33,37)(H,35,36)(H,38,39)/t27-/m0/s1 | | Synonyms: | ONO-2770372 | | Definition date: | 2019-06-13 | | Last modified: | 2020-06-17 | | Release date: | 2019-12-11 | | Identifier: | (2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid |
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