 | | PC1 | | Name: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE | | Formula: | C44 H88 N O8 P | | SMILES: | O=C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1 | | Synonyms: | 3-SN-PHOSPHATIDYLCHOLINE | | Definition date: | 2003-07-09 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2,3-bis(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate |
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 | | 7JM | | Name: | 6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{H}-quinazolin-4-one | | Formula: | C14 H11 N3 O2 | | SMILES: | Cc1ncccc1c2cc(O)c3N=CNC(=O)c3c2 | | InChi: | InChI=1S/C14H11N3O2/c1-8-10(3-2-4-15-8)9-5-11-13(12(18)6-9)16-7-17-14(11)19/h2-7,18H,1H3,(H,16,17,19) | | Synonyms: | 8-hydroxy-6-(2-methylpyridin-3-yl)-3H-quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2021-03-01 | | Release date: | 2017-11-22 | | Identifier: | 6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{H}-quinazolin-4-one |
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 | | B65 | | Name: | (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid | | Formula: | C16 H19 O7 P S | | SMILES: | O=S(=O)(O)C(P(=O)(O)O)CCCc2cc(Oc1ccccc1)ccc2 | | InChi: | InChI=1S/C16H19O7PS/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22)/t16-/m1/s1 | | Synonyms: | BPH-652 | | Definition date: | 2007-11-14 | | Last modified: | 2021-03-01 | | Identifier: | (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid |
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 | | PCO | | Name: | 2,4-DIHYDROXY-N-[2-(2-MERCAPTO-VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-BUTYRAMIDE | | Formula: | C11 H20 N2 O4 S | | SMILES: | O=C(NC=C/S)CCNC(=O)C(O)C(C)(C)CO | | InChi: | InChI=1S/C11H20N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h5-6,9,14,16,18H,3-4,7H2,1-2H3,(H,12,15)(H,13,17)/b6-5-/t9-/m0/s1 | | Synonyms: | PANTOTHENOYLAMINOETHENETHIOL | | Definition date: | 2002-10-01 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-3-{[(Z)-2-sulfanylethenyl]amino}propyl)butanamide |
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 | | PCV | | Name: | 5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID | | Formula: | C8 H14 N2 O4 | | SMILES: | O=C1N(C(C(=O)O)C(O)CCN)CC1 | | InChi: | InChI=1S/C8H14N2O4/c9-3-1-5(11)7(8(13)14)10-4-2-6(10)12/h5,7,11H,1-4,9H2,(H,13,14)/t5-,7+/m1/s1 | | Synonyms: | PROCLAVAMINIC ACID | | Definition date: | 2000-01-21 | | Last modified: | 2021-03-01 | | Identifier: | 5-amino-2,4,5-trideoxy-2-(2-oxoazetidin-1-yl)-D-threo-pentonic acid |
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 | | PDA | | Name: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID | | Formula: | C11 H17 N2 O7 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C | | InChi: | InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m0/s1 | | Synonyms: | PYRIDOXYL-ALANINE-5-PHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-alanine |
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 | | B6Y | | Name: | (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | Formula: | C26 H46 N4 O10 S | | SMILES: | C(=O)(NC(C(=O)NC(CC1CCNC1=O)C(S(=O)(=O)O)O)CC(C)C)OC2(CCN(CC2)C(=O)OC(C)(C)C)CC | | InChi: | InChI=1S/C26H46N4O10S/c1-7-26(9-12-30(13-10-26)24(35)40-25(4,5)6)39-23(34)29-18(14-16(2)3)21(32)28-19(22(33)41(36,37)38)15-17-8-11-27-20(17)31/h16-19,22,33H,7-15H2,1-6H3,(H,27,31)(H,28,32)(H,29,34)(H,36,37,38)/t17-,18-,19-,22+/m0/s1 | | Synonyms: | bound form | | Definition date: | 2017-08-02 | | Last modified: | 2021-03-01 | | Release date: | 2018-04-04 | | Identifier: | (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | PDK | | Name: | (10S,13R)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide | | Formula: | C47 H87 N4 O17 P | | SMILES: | O=C(NCCOP(=O)(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)O)CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O | | InChi: | InChI=1S/C47H87N4O17P/c1-3-5-7-9-11-13-15-17-19-21-23-25-46(61)65-38-40(68-47(62)26-24-22-20-18-16-14-12-10-8-6-4-2)39-67-69(63,64)66-32-27-48-41(52)33-50(35-43(55)56)30-28-49(34-42(53)54)29-31-51(36-44(57)58)37-45(59)60/h40H,3-39H2,1-2H3,(H,48,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,63,64)/t40-/m1/s1 | | Synonyms: | PE-DTPA | | Definition date: | 2009-09-30 | | Last modified: | 2021-03-01 | | Identifier: | (10S,13R)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide |
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 | | PDM | | Name: | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID | | Formula: | C14 H16 N2 O5 | | SMILES: | O=C(O)CCC(O)Nc1ccc(cc1)N2C(=O)CCC2=O | | InChi: | InChI=1S/C14H16N2O5/c17-11(5-8-14(20)21)15-9-1-3-10(4-2-9)16-12(18)6-7-13(16)19/h1-4,11,15,17H,5-8H2,(H,20,21)/t11-/m0/s1 | | Synonyms: | PARA-PHENYL DIMALEMIDE | | Definition date: | 2002-02-06 | | Last modified: | 2021-03-01 | | Identifier: | (4S)-4-{[4-(2,5-dioxopyrrolidin-1-yl)phenyl]amino}-4-hydroxybutanoic acid |
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 | | B7A | | Name: | 2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate) | | Formula: | C10 H15 N2 O15 P3 | | SMILES: | C2(COP(=O)(O)OP(O)(OP(=O)(O)O)=O)C(CC(N1C(NC(C(C=O)=C1)=O)=O)O2)O | | InChi: | InChI=1S/C10H15N2O15P3/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,6-8,14H,1,4H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1 | | Synonyms: | 5-FodUTP | | Definition date: | 2017-08-03 | | Last modified: | 2021-03-01 | | Release date: | 2017-09-13 | | Identifier: | 2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate) |
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 | | B7J | | Name: | 2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate) | | Formula: | C10 H16 N3 O14 P3 | | SMILES: | C2(COP(=O)(O)OP(O)(OP(O)(O)=O)=O)C(CC(N1C(N=C(C(C=O)=C1)N)=O)O2)O | | InChi: | InChI=1S/C10H16N3O14P3/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,6-8,15H,1,4H2,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1 | | Synonyms: | 5-FodCTP | | Definition date: | 2017-08-03 | | Last modified: | 2021-03-01 | | Release date: | 2017-09-13 | | Identifier: | 2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate) |
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 | | B7P | | Name: | 2'-deoxy-5-fluorouridine 5'-(tetrahydrogen triphosphate) | | Formula: | C9 H14 F N2 O14 P3 | | SMILES: | C1=C(F)C(=O)NC(N1C2CC(O)C(O2)COP(=O)(O)OP(O)(OP(=O)(O)O)=O)=O | | InChi: | InChI=1S/C9H14FN2O14P3/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h2,5-7,13H,1,3H2,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1 | | Synonyms: | 5-FdUTP | | Definition date: | 2017-08-03 | | Last modified: | 2021-03-01 | | Release date: | 2017-09-13 | | Identifier: | 2'-deoxy-5-fluorouridine 5'-(tetrahydrogen triphosphate) |
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 | | B81 | | Name: | (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol | | Formula: | C19 H30 O2 | | SMILES: | OC4CCC1(C(=CCC2C1CCC3(C2CCC3O)C)C4)C | | InChi: | InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1 | | Synonyms: | 5-Androstenediol | | Definition date: | 2009-07-29 | | Last modified: | 2021-03-01 | | Identifier: | (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol |
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 | | B82 | | Name: | 2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid | | Formula: | C18 H19 Br N2 O5 S | | SMILES: | CCN(CC)[S](=O)(=O)c1cc(ccc1Br)C(=O)Nc2ccccc2C(O)=O | | InChi: | InChI=1S/C18H19BrN2O5S/c1-3-21(4-2)27(25,26)16-11-12(9-10-14(16)19)17(22)20-15-8-6-5-7-13(15)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24) | | Synonyms: | 2-({4-bromo-3-[(diethylamino)sulfonyl]benzoyl}amino)benzoic acid | | Definition date: | 2009-08-10 | | Last modified: | 2021-03-01 | | Identifier: | 2-[[4-bromo-3-(diethylsulfamoyl)phenyl]carbonylamino]benzoic acid |
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 | | B89 | | Name: | (5S)-2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)cyclohex-2-en-1-one | | Formula: | C17 H24 Cl N O4 | | SMILES: | Cl[C@H]=CCON=C(C=2C(=O)CC(C1CCOCC1)CC=2O)CC | | InChi: | InChI=1S/C17H24ClNO4/c1-2-14(19-23-7-3-6-18)17-15(20)10-13(11-16(17)21)12-4-8-22-9-5-12/h3,6,12-13,20H,2,4-5,7-11H2,1H3/b6-3+,19-14+/t13-/m0/s1 | | Synonyms: | tepraloxydim | | Definition date: | 2009-10-19 | | Last modified: | 2021-03-01 | | Identifier: | (5S)-2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)cyclohex-2-en-1-one |
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 | | PEU | | Name: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL | | Formula: | C55 H112 O28 | | SMILES: | OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC | | InChi: | InChI=1S/C55H112O28/c1-57-4-5-59-8-9-61-12-13-63-16-17-65-20-21-67-24-25-69-28-29-71-32-33-73-36-37-75-40-41-77-44-45-79-48-49-81-52-53-83-55-54-82-51-50-80-47-46-78-43-42-76-39-38-74-35-34-72-31-30-70-27-26-68-23-22-66-19-18-64-15-14-62-11-10-60-7-6-58-3-2-56/h56H,2-55H2,1H3 | | Synonyms: | PEG 8000 | | Definition date: | 2005-10-31 | | Last modified: | 2021-03-01 | | Identifier: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-heptacosaoxadooctacontan-82-ol |
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 | | B8L | | Name: | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | | Formula: | C32 H36 N2 O7 | | SMILES: | O=C(c1cc(OC)ccc1O)c2ccc(cc2)C(=O)OC4CCCNCC4NC(=O)c3ccc(O)c(c3)C(C)CC | | InChi: | InChI=1S/C32H36N2O7/c1-4-19(2)24-16-22(11-13-27(24)35)31(38)34-26-18-33-15-5-6-29(26)41-32(39)21-9-7-20(8-10-21)30(37)25-17-23(40-3)12-14-28(25)36/h7-14,16-17,19,26,29,33,35-36H,4-6,15,18H2,1-3H3,(H,34,38)/t19-,26+,29+/m0/s1 | | Synonyms: | BALANOL ANALOG 8 | | Definition date: | 2003-12-03 | | Last modified: | 2021-03-01 | | Identifier: | (3R,4R)-3-[({4-hydroxy-3-[(1S)-1-methylpropyl]phenyl}carbonyl)amino]azepan-4-yl 4-[(2-hydroxy-5-methoxyphenyl)carbonyl]benzoate |
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 | | BA0 | | Name: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide | | Formula: | C27 H31 N5 O3 | | SMILES: | C1CN(C(CC)=O)CCC1C3CCNc2c(C(N)=O)c(nn23)c4ccc(cc4)Oc5ccccc5 | | InChi: | InChI=1S/C27H31N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h3-11,18,22,29H,2,12-17H2,1H3,(H2,28,34)/t22-/m0/s1 | | Synonyms: | Zanubrutinib | | Definition date: | 2019-01-30 | | Last modified: | 2021-03-01 | | Release date: | 2019-10-23 | | Identifier: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
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 | | BA5 | | Name: | methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate | | Formula: | C10 H9 N3 O4 | | SMILES: | COC(=O)C1=C(N)c2cccnc2N(O)C1=O | | InChi: | InChI=1S/C10H9N3O4/c1-17-10(15)6-7(11)5-3-2-4-12-8(5)13(16)9(6)14/h2-4,16H,11H2,1H3 | | Synonyms: | XZ462 | | Definition date: | 2017-09-29 | | Last modified: | 2021-03-01 | | Release date: | 2018-04-11 | | Identifier: | methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate |
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 | | PGM | | Name: | 1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)] | | Formula: | C22 H44 O9 P | | SMILES: | O=C(OCC(O)COP([O-])(=O)OCC(O)CO)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h20-21,23-25H,2-19H2,1H3,(H,27,28)/p-1/t20-,21-/m0/s1 | | Synonyms: | LYSOPHOSPHATIDYLGLYCEROL | | Definition date: | 2002-12-12 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-2,3-dihydroxypropyl (2S)-3-(hexadecanoyloxy)-2-hydroxypropyl phosphate |
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 | | PGX | | Name: | 7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-YL]-HEPT-5-ENOIC ACID | | Formula: | C20 H32 O6 | | SMILES: | O=C(O)CCC/C=CCC2C1OOC(C1)C2/C=C/C(OO)CCCCC | | InChi: | InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1 | | Synonyms: | PROSTAGLANDIN G2 | | Definition date: | 1999-11-10 | | Last modified: | 2021-03-01 | | Identifier: | (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid |
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 | | PH1 | | Name: | 1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE | | Formula: | C43 H88 O2 | | SMILES: | O(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)CC(OCCC(CCCC(CCCC(C)CCCC(C)C)C)C)C | | InChi: | InChI=1S/C43H88O2/c1-35(2)18-12-20-37(5)22-14-24-39(7)26-16-28-41(9)30-32-44-34-43(11)45-33-31-42(10)29-17-27-40(8)25-15-23-38(6)21-13-19-36(3)4/h35-43H,12-34H2,1-11H3/t37-,38-,39-,40-,41-,42-,43+/m0/s1 | | Synonyms: | PHYTANYL MOIETY | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (3S,7S,11S,3'S,7'S,11'S)-1,1'-[(2R)-propane-1,2-diylbis(oxy)]bis(3,7,11,15-tetramethylhexadecane) |
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 | | BB1 | | Name: | 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE | | Formula: | C16 H31 N3 O4 | | SMILES: | O=C(N(C)C)C(NC(=O)C(CCCC)CN(O)C=O)C(C)(C)C | | InChi: | InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1 | | Synonyms: | BB-3497 | | Definition date: | 2000-10-22 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-N-[(1S)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-2-{[formyl(hydroxy)amino]methyl}hexanamide |
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 | | BB2 | | Name: | ACTINONIN | | Formula: | C19 H35 N3 O5 | | SMILES: | O=C(N1C(CO)CCC1)C(NC(=O)C(CC(=O)NO)CCCCC)C(C)C | | InChi: | InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1 | | Synonyms: | 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEPTANOIC ACID [1-(2-HYDROXYMETHYL-PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL]-AMIDE | | Definition date: | 2000-10-23 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-N~4~-hydroxy-N~1~-[(1S)-1-{[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-2-methylpropyl]-2-pentylbutanediamide |
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 | | BBA | | Name: | 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE | | Formula: | C23 H28 N4 O | | SMILES: | O=C1C(CCCCC1Cc2ccc(C(=[N@H])N)cc2)Cc3ccc(C(=[N@H])N)cc3 | | InChi: | InChI=1S/C23H28N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-12,19-20H,1-4,13-14H2,(H3,24,25)(H3,26,27)/t19-,20-/m0/s1 | | Synonyms: | BIS-BENZAMIDINE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 4,4'-{[(1S,3S)-2-oxocycloheptane-1,3-diyl]dimethanediyl}dibenzenecarboximidamide |
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