 | | BGD | | Name: | N-BENZOYL-L-GLUTAMYL-[4-PHOSPHONO(DIFLUOROMETHYL)]-L-PHENYLALANINE-[4-PHOSPHONO(DIFLUORO-METHYL)]-L-PHENYLALANINEAMIDE | | Formula: | C32 H34 F4 N4 O12 P2 | | SMILES: | FC(F)(c1ccc(cc1)CC(C(=O)N)NC(=O)C(NC(=O)C(NC(=O)c2ccccc2)CCC(=O)O)Cc3ccc(cc3)C(F)(F)P(=O)(O)O)P(=O)(O)O | | InChi: | InChI=1S/C32H34F4N4O12P2/c33-31(34,53(47,48)49)21-10-6-18(7-11-21)16-24(27(37)43)39-30(46)25(17-19-8-12-22(13-9-19)32(35,36)54(50,51)52)40-29(45)23(14-15-26(41)42)38-28(44)20-4-2-1-3-5-20/h1-13,23-25H,14-17H2,(H2,37,43)(H,38,44)(H,39,46)(H,40,45)(H,41,42)(H2,47,48,49)(H2,50,51,52)/t23-,24-,25-/m0/s1 | | Synonyms: | 4-BENZOYLAMINO-4-{1-{1-CARBAMOYL-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYLCARBAMOYL}-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYLCARBAMOYL}-BUTYRIC ACID | | Definition date: | 2002-05-16 | | Last modified: | 2021-03-01 | | Identifier: | N-(phenylcarbonyl)-L-alpha-glutamyl-4-[difluoro(phosphono)methyl]-L-phenylalanyl-4-[difluoro(phosphono)methyl]-L-phenylalaninamide |
|
 | | BGU | | Name: | 2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Formula: | C9 H8 N6 O | | SMILES: | O=C1c3c(N=C(N1)N)cc2nc(N)nc2c3 | | InChi: | InChI=1S/C9H8N6O/c10-8-13-5-1-3-4(2-6(5)14-8)12-9(11)15-7(3)16/h1-2H,(H3,10,13,14)(H3,11,12,15,16) | | Synonyms: | 2-Amino-lin-Benzogunaine | | Definition date: | 2007-08-28 | | Last modified: | 2021-03-01 | | Identifier: | 2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
|
 | | BHT | | Name: | N-[4-(BIS{4-[(3-SULFOPHENYL)AMINO]PHENYL}METHYLENE)CYCLOHEXA-2,5-DIEN-1-YLIDENE]-4-SULFOBENZENAMINIUM | | Formula: | C37 H30 N3 O9 S3 | | SMILES: | O=S(=O)(O)c1cccc(c1)Nc2ccc(cc2)C(=C4/C=C/C(=[NH+]c3ccc(cc3)S(=O)(=O)O)C=C4)c6ccc(Nc5cccc(c5)S(=O)(=O)O)cc6 | | InChi: | InChI=1S/C37H29N3O9S3/c41-50(42,43)34-21-19-31(20-22-34)38-28-13-7-25(8-14-28)37(26-9-15-29(16-10-26)39-32-3-1-5-35(23-32)51(44,45)46)27-11-17-30(18-12-27)40-33-4-2-6-36(24-33)52(47,48)49/h1-24,39-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)/p+1 | | Synonyms: | BLUE HT | | Definition date: | 2005-06-03 | | Last modified: | 2021-03-01 | | Identifier: | N-[4-(bis{4-[(3-sulfophenyl)amino]phenyl}methylidene)cyclohexa-2,5-dien-1-ylidene]-4-sulfoanilinium |
|
 | | BHU | | Name: | [[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid | | Formula: | C5 H12 B N O3 S | | SMILES: | C[CH](CS)C(=O)NCB(O)O | | InChi: | InChI=1S/C5H12BNO3S/c1-4(2-11)5(8)7-3-6(9)10/h4,9-11H,2-3H2,1H3,(H,7,8)/t4-/m1/s1 | | Synonyms: | (S)-((3-mercapto-2-methylpropanamido)methyl)boronic acid | | Definition date: | 2019-02-01 | | Last modified: | 2021-03-01 | | Release date: | 2019-07-17 | | Identifier: | [[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid |
|
 | | BIA | | Name: | 1-(3,4,DIHYDROXY-5-NITROPHENYL)-3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-1-YL}PROPAN-1-ONE | | Formula: | C20 H20 F3 N3 O5 | | SMILES: | [O-][N+](=O)c3c(O)c(O)cc(C(=O)CCN2CCN(c1cc(ccc1)C(F)(F)F)CC2)c3 | | InChi: | InChI=1S/C20H20F3N3O5/c21-20(22,23)14-2-1-3-15(12-14)25-8-6-24(7-9-25)5-4-17(27)13-10-16(26(30)31)19(29)18(28)11-13/h1-3,10-12,28-29H,4-9H2 | | Synonyms: | BIA 3-335 | | Definition date: | 2002-07-12 | | Last modified: | 2021-03-01 | | Identifier: | 1-(3,4-dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one |
|
 | | BIE | | Name: | (3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE | | Formula: | C13 H9 N O5 | | SMILES: | [O-][N+](=O)c2c(C(=O)c1ccccc1)ccc(O)c2O | | InChi: | InChI=1S/C13H9NO5/c15-10-7-6-9(11(13(10)17)14(18)19)12(16)8-4-2-1-3-5-8/h1-7,15,17H | | Synonyms: | BIA 3-335 | | Definition date: | 2006-04-26 | | Last modified: | 2021-03-01 | | Identifier: | (3,4-dihydroxy-2-nitrophenyl)(phenyl)methanone |
|
 | | BIG | | Name: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol | | Formula: | C16 H25 N5 O S | | SMILES: | S(CCCC)CC3CN(Cc2cnc1c2ncnc1N)CC3O | | InChi: | InChI=1S/C16H25N5OS/c1-2-3-4-23-9-12-7-21(8-13(12)22)6-11-5-18-15-14(11)19-10-20-16(15)17/h5,10,12-13,18,22H,2-4,6-9H2,1H3,(H2,17,19,20)/t12-,13+/m1/s1 | | Synonyms: | butylthio-DADMe-Immucillin A | | Definition date: | 2008-07-10 | | Last modified: | 2021-03-01 | | Identifier: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol |
|
 | | BIV | | Name: | 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E) | | Formula: | C32 H54 O4 | | SMILES: | OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(CCCC(O)(C)C)CCCC(O)(C)C)CCC12)CC(O)C3 | | InChi: | InChI=1S/C32H54O4/c1-22-25(20-26(33)21-29(22)34)14-13-24-12-9-19-32(6)27(15-16-28(24)32)23(10-7-17-30(2,3)35)11-8-18-31(4,5)36/h13-14,23,26-29,33-36H,1,7-12,15-21H2,2-6H3/b24-13+,25-14-/t26-,27-,28+,29+,32-/m1/s1 | | Synonyms: | GEMINI | | Definition date: | 2006-06-20 | | Last modified: | 2021-03-01 | | Identifier: | (1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-methylhexyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol (non-preferred name) |
|
 | | BKC | | Name: | Bongkrekic acid | | Formula: | C28 H38 O7 | | SMILES: | CO[CH](CC=CC=CCCC=CC[CH](C)C=CC(CC(O)=O)=CC(O)=O)C(C)=CC=C(C)C(O)=O | | InChi: | InChI=1S/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/b8-6+,11-9+,12-10-,18-15+,22-16-,23-17+,24-19+/t21-,25+/m0/s1 | | Synonyms: | Bongkrek acid | | Definition date: | 2018-04-17 | | Last modified: | 2021-03-01 | | Release date: | 2019-01-09 | | Identifier: | (2~{E},4~{Z},6~{R},8~{Z},10~{E},14~{E},17~{S},18~{E},20~{Z})-20-(2-hydroxy-2-oxoethyl)-6-methoxy-2,5,17-trimethyl-docosa-2,4,8,10,14,18,20-heptaenedioic acid |
|
 | | BKM | | Name: | (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid | | Formula: | C33 H52 O11 | | SMILES: | C=[C@H]C(=[C@H]C(CC(CC(C)CCC(C(C)C(CC(O)C(C)C(C)OC(=O)CC(/C(C(O)=O)=C(/C(=O)O)C)O)=O)O)C)=O)CC | | InChi: | InChI=1S/C33H52O11/c1-9-24(10-2)15-25(34)14-19(4)13-18(3)11-12-26(35)21(6)28(37)16-27(36)20(5)23(8)44-30(39)17-29(38)31(33(42)43)22(7)32(40)41/h9,15,18-21,23,26-27,29,35-36,38H,1,10-14,16-17H2,2-8H3,(H,40,41)(H,42,43)/b24-15-,31-22-/t18-,19+,20+,21-,23+,26-,27+,29+/m0/s1 | | Synonyms: | Tautomycetin diacid form | | Definition date: | 2017-08-10 | | Last modified: | 2021-03-01 | | Release date: | 2017-11-29 | | Identifier: | (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid |
|
 | | 408 | | Name: | (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | | Formula: | C16 H16 F3 N O | | SMILES: | FC(F)(F)c2ccc(OC(c1ccccc1)CCN)cc2 | | InChi: | InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1 | | Synonyms: | (R)-Norfluoxetine | | Definition date: | 2014-12-22 | | Last modified: | 2021-03-01 | | Release date: | 2015-03-18 | | Identifier: | (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine |
|
 | | 41M | | Name: | N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysinamide | | Formula: | C16 H29 N5 O3 S | | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCC(C(=O)N)N | | InChi: | InChI=1S/C16H29N5O3S/c17-10(15(18)23)5-3-4-8-19-13(22)7-2-1-6-12-14-11(9-25-12)20-16(24)21-14/h10-12,14H,1-9,17H2,(H2,18,23)(H,19,22)(H2,20,21,24)/t10-,11-,12-,14-/m0/s1 | | Synonyms: | N-epsilon-Biotinyl-lysine-amid | | Definition date: | 2015-01-13 | | Last modified: | 2021-03-01 | | Release date: | 2015-03-04 | | Identifier: | N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysinamide |
|
 | | 41U | | Name: | nisoxetine | | Formula: | C17 H21 N O2 | | SMILES: | O(c1ccccc1OC)C(c2ccccc2)CCNC | | InChi: | InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3/t15-/m0/s1 | | Synonyms: | (3S)-3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine | | Definition date: | 2015-01-16 | | Last modified: | 2021-03-01 | | Release date: | 2015-05-13 | | Identifier: | (3S)-3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine |
|
 | | 42U | | Name: | 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline | | Formula: | C22 H23 F4 N5 | | SMILES: | FC(F)(F)c4c(NCCN1CCNCC1)ccc(c3cnnc3c2ccc(F)cc2)c4 | | InChi: | InChI=1S/C22H23F4N5/c23-17-4-1-15(2-5-17)21-18(14-29-30-21)16-3-6-20(19(13-16)22(24,25)26)28-9-12-31-10-7-27-8-11-31/h1-6,13-14,27-28H,7-12H2,(H,29,30) | | Synonyms: | CBR-9393 | | Definition date: | 2015-01-23 | | Last modified: | 2021-03-01 | | Release date: | 2015-07-22 | | Identifier: | 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline |
|
 | | 43X | | Name: | [(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate | | Formula: | C8 H11 F N3 O6 P S | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(F)=C1)CS2 | | InChi: | InChI=1S/C8H11FN3O6PS/c9-4-1-12(8(13)11-7(4)10)5-3-20-6(18-5)2-17-19(14,15)16/h1,5-6H,2-3H2,(H2,10,11,13)(H2,14,15,16)/t5-,6+/m0/s1 | | Synonyms: | FTC-MP | | Definition date: | 2015-02-03 | | Last modified: | 2021-03-01 | | Release date: | 2017-01-11 | | Identifier: | [(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate |
|
 | | 44D | | Name: | 7-[5-(4-AMINO-5-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]-6,9,11-TRIHYDROXY-9-(2-HYDROXY-ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE-5,12-DIONE | | Formula: | C32 H37 N O13 | | SMILES: | O=C2c1c(O)c6c(c(O)c1C(=O)c3ccccc23)CC(O)(C(=O)CO)CC6OC5OC(C(OC4OC(C)C(O)C(N)C4)C(O)C5)C | | InChi: | InChI=1S/C32H37NO13/c1-12-26(37)17(33)7-21(43-12)46-31-13(2)44-22(8-18(31)35)45-19-10-32(42,20(36)11-34)9-16-23(19)30(41)25-24(29(16)40)27(38)14-5-3-4-6-15(14)28(25)39/h3-6,12-13,17-19,21-22,26,31,34-35,37,40-42H,7-11,33H2,1-2H3/t12-,13-,17-,18-,19-,21-,22-,26+,31+,32-/m0/s1 | | Synonyms: | 4'-(O-ALPHA-L-DAUNOSAMINYL)-4-DEMETHOXYDOXORUBICIN | | Definition date: | 2002-12-16 | | Last modified: | 2021-03-01 | | Identifier: | (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 4-O-(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)-2,6-dideoxy-alpha-L-lyxo-hexopyranoside |
|
 | | 451 | | Name: | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide | | Formula: | C22 H27 N O7 | | SMILES: | O=C(Nc2ccc1OCCOCCOc3ccccc3OCCOCCOc1c2)C | | InChi: | InChI=1S/C22H27NO7/c1-17(24)23-18-6-7-21-22(16-18)30-15-11-26-9-13-28-20-5-3-2-4-19(20)27-12-8-25-10-14-29-21/h2-7,16H,8-15H2,1H3,(H,23,24) | | Synonyms: | N-(Dibenzo-18-crown-6-ether)-acetamide | | Definition date: | 2009-01-28 | | Last modified: | 2021-03-01 | | Identifier: | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide |
|
 | | 485 | | Name: | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YL)- ACETIC ACID | | Formula: | C17 H24 N2 O8 | | SMILES: | O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C2OC(C(O)C(O)C2O)C | | InChi: | InChI=1S/C17H24N2O8/c1-7-12(21)13(22)14(23)15(27-7)11(17(25)26)19-16(24)10(18)6-8-2-4-9(20)5-3-8/h2-5,7,10-15,20-23H,6,18H2,1H3,(H,19,24)(H,25,26)/t7-,10+,11+,12+,13+,14-,15+/m1/s1 | | Synonyms: | SB-284485 | | Definition date: | 2001-07-05 | | Last modified: | 2021-03-01 | | Identifier: | 3,7-anhydro-2,8-dideoxy-2-(L-tyrosylamino)-D-threo-L-galacto-octonic acid |
|
 | | 48U | | Name: | 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide | | Formula: | C19 H19 Cl F N3 O4 S2 | | SMILES: | Clc3sc(/C=C/S(=O)(=O)NC2C(=O)N(c1ccc(C(=O)N(C)C)cc1F)CC2)cc3 | | InChi: | InChI=1S/C19H19ClFN3O4S2/c1-23(2)18(25)12-3-5-16(14(21)11-12)24-9-7-15(19(24)26)22-30(27,28)10-8-13-4-6-17(20)29-13/h3-6,8,10-11,15,22H,7,9H2,1-2H3/b10-8+/t15-/m0/s1 | | Synonyms: | GTC000101 | | Definition date: | 2015-02-13 | | Last modified: | 2021-03-01 | | Release date: | 2015-09-30 | | Identifier: | 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide |
|
 | | 492 | | Name: | 1-(2,2'-bithiophen-5-yl)methanamine | | Formula: | C9 H9 N S2 | | SMILES: | s2c(c1sc(cc1)CN)ccc2 | | InChi: | InChI=1S/C9H9NS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H,6,10H2 | | Synonyms: | (5-thiophen-2-ylthiophen-2-yl)methylamine | | Definition date: | 2009-01-20 | | Last modified: | 2021-03-01 | | Identifier: | 1-(2,2'-bithiophen-5-yl)methanamine |
|
 | | 49X | | Name: | (1R)-1,5-anhydro-1-{(1E,3S,4S,5R)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-D-galactitol | | Formula: | C39 H67 N O8 | | SMILES: | O=C(NC(/C=C/C1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCc2ccccc2 | | InChi: | InChI=1S/C39H67NO8/c1-2-3-4-5-6-7-8-9-10-11-14-20-25-32(42)36(44)31(27-28-33-37(45)39(47)38(46)34(29-41)48-33)40-35(43)26-21-15-12-13-17-22-30-23-18-16-19-24-30/h16,18-19,23-24,27-28,31-34,36-39,41-42,44-47H,2-15,17,20-22,25-26,29H2,1H3,(H,40,43)/b28-27+/t31-,32+,33+,34+,36-,37-,38-,39+/m0/s1 | | Synonyms: | GCK152 | | Definition date: | 2015-02-18 | | Last modified: | 2021-03-01 | | Release date: | 2015-05-27 | | Identifier: | (1R)-1,5-anhydro-1-{(1E,3S,4S,5R)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-D-galactitol |
|
 | | 4AD | | Name: | 4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATE | | Formula: | C14 H21 N7 O9 P | | SMILES: | O=C(N)CC(C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)[NH3+] | | InChi: | InChI=1S/C14H20N7O9P/c15-5(1-7(16)22)14(25)30-31(26,27)28-2-6-9(23)10(24)13(29-6)21-4-20-8-11(17)18-3-19-12(8)21/h3-6,9-10,13,23-24H,1-2,15H2,(H2,16,22)(H,26,27)(H2,17,18,19)/p+1/t5-,6+,9+,10+,13+/m0/s1 | | Synonyms: | ASNAMP | | Definition date: | 2005-05-20 | | Last modified: | 2021-03-01 | | Identifier: | 5'-O-[(R)-{[(2S)-4-amino-2-ammonio-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine |
|
 | | 4BQ | | Name: | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | | Formula: | C18 H20 N2 O4 | | SMILES: | O=C(O)C(N)CCC(=O)Nc2ccc(OCc1ccccc1)cc2 | | InChi: | InChI=1S/C18H20N2O4/c19-16(18(22)23)10-11-17(21)20-14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H,20,21)(H,22,23)/t16-/m0/s1 | | Synonyms: | N-[4-(phenylmethoxy)phenyl]-L-glutamine | | Definition date: | 2008-03-14 | | Last modified: | 2021-03-01 | | Identifier: | N-[4-(benzyloxy)phenyl]-L-glutamine |
|
 | | 4C0 | | Name: | 3-(1H-benzimidazol-2-yl)-N-(3-phenylpropanoyl)-D-alanine | | Formula: | C19 H19 N3 O3 | | SMILES: | O=C(O)C(NC(=O)CCc1ccccc1)Cc3nc2ccccc2n3 | | InChi: | InChI=1S/C19H19N3O3/c23-18(11-10-13-6-2-1-3-7-13)22-16(19(24)25)12-17-20-14-8-4-5-9-15(14)21-17/h1-9,16H,10-12H2,(H,20,21)(H,22,23)(H,24,25)/t16-/m1/s1 | | Synonyms: | (R)-3-(1H-Benzoimidazol-2-yl)-2-(3-phenyl-propionylamino)-propionic acid | | Definition date: | 2009-10-22 | | Last modified: | 2021-03-01 | | Identifier: | 3-(1H-benzimidazol-2-yl)-N-(3-phenylpropanoyl)-D-alanine |
|
 | | 4D8 | | Name: | (3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid | | Formula: | C29 H46 O3 | | SMILES: | O=C(O)C1(C2CCC3=C(C2(CCC1O)C)CCC4(C)C(C(C)CCC=C(/C)C)CCC34)C | | InChi: | InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1 | | Synonyms: | 4alpha-carboxy-4beta-methyl-zymosterol | | Definition date: | 2015-01-29 | | Last modified: | 2021-03-01 | | Release date: | 2015-02-11 | | Identifier: | (3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid |
|
