 | | YIB | | Name: | (5P)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole | | Formula: | C15 H8 F3 N5 O2 | | SMILES: | FC(F)(F)Oc1ccc(cc1)c1onc2ccc(cc12)c1nnn[NH]1 | | InChi: | InChI=1S/C15H8F3N5O2/c16-15(17,18)24-10-4-1-8(2-5-10)13-11-7-9(14-19-22-23-20-14)3-6-12(11)21-25-13/h1-7H,(H,19,20,22,23) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | (5P)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole |
|
 | | YIG | | Name: | (5P)-3-(4-phenoxyphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole | | Formula: | C20 H13 N5 O2 | | SMILES: | c1c(ccc2noc(c12)c1ccc(Oc2ccccc2)cc1)c1nnn[NH]1 | | InChi: | InChI=1S/C20H13N5O2/c1-2-4-15(5-3-1)26-16-9-6-13(7-10-16)19-17-12-14(20-21-24-25-22-20)8-11-18(17)23-27-19/h1-12H,(H,21,22,24,25) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | (5P)-3-(4-phenoxyphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole |
|
 | | YIK | | Name: | N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide | | Formula: | C18 H14 N6 O2 | | SMILES: | O=C(Nc1cccc(c1)c1onc2ccc(cc12)c1n[NH]nn1)C1CC1 | | InChi: | InChI=1S/C18H14N6O2/c25-18(10-4-5-10)19-13-3-1-2-11(8-13)16-14-9-12(17-20-23-24-21-17)6-7-15(14)22-26-16/h1-3,6-10H,4-5H2,(H,19,25)(H,20,21,23,24) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide |
|
 | | YIU | | Name: | N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopentanecarboxamide | | Formula: | C20 H18 N6 O2 | | SMILES: | O=C(Nc1cccc(c1)c1onc2ccc(cc12)c1n[NH]nn1)C1CCCC1 | | InChi: | InChI=1S/C20H18N6O2/c27-20(12-4-1-2-5-12)21-15-7-3-6-13(10-15)18-16-11-14(19-22-25-26-23-19)8-9-17(16)24-28-18/h3,6-12H,1-2,4-5H2,(H,21,27)(H,22,23,25,26) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopentanecarboxamide |
|
 | | YJ3 | | Name: | (3P,5P)-3-{3-[(piperidin-4-yl)oxy]phenyl}-5-(2H-tetrazol-5-yl)-2,1-benzoxazole | | Formula: | C19 H18 N6 O2 | | SMILES: | c1c(ccc2noc(c12)c1cccc(OC2CCNCC2)c1)c1n[NH]nn1 | | InChi: | InChI=1S/C19H18N6O2/c1-2-12(10-15(3-1)26-14-6-8-20-9-7-14)18-16-11-13(19-21-24-25-22-19)4-5-17(16)23-27-18/h1-5,10-11,14,20H,6-9H2,(H,21,22,24,25) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | (3P,5P)-3-{3-[(piperidin-4-yl)oxy]phenyl}-5-(2H-tetrazol-5-yl)-2,1-benzoxazole |
|
 | | YJB | | Name: | (3P,5M)-3-{3-[(3,5-dichloropyridin-2-yl)oxy]phenyl}-5-(1H-tetrazol-5-yl)-2,1-benzoxazole | | Formula: | C19 H10 Cl2 N6 O2 | | SMILES: | Clc1cc(Cl)cnc1Oc1cccc(c1)c1onc2ccc(cc12)c1nnn[NH]1 | | InChi: | InChI=1S/C19H10Cl2N6O2/c20-12-8-15(21)19(22-9-12)28-13-3-1-2-10(6-13)17-14-7-11(18-23-26-27-24-18)4-5-16(14)25-29-17/h1-9H,(H,23,24,26,27) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | (3P,5M)-3-{3-[(3,5-dichloropyridin-2-yl)oxy]phenyl}-5-(1H-tetrazol-5-yl)-2,1-benzoxazole |
|
 | | YJH | | Name: | (3P,5M)-3-[3-(1-cyclobutylpiperidin-4-yl)phenyl]-5-(1H-tetrazol-5-yl)-2,1-benzoxazole | | Formula: | C23 H24 N6 O | | SMILES: | c1c(ccc2noc(c12)c1cccc(c1)C1CCN(CC1)C1CCC1)c1nnn[NH]1 | | InChi: | InChI=1S/C23H24N6O/c1-3-16(15-9-11-29(12-10-15)19-5-2-6-19)13-17(4-1)22-20-14-18(23-24-27-28-25-23)7-8-21(20)26-30-22/h1,3-4,7-8,13-15,19H,2,5-6,9-12H2,(H,24,25,27,28) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | (3P,5M)-3-[3-(1-cyclobutylpiperidin-4-yl)phenyl]-5-(1H-tetrazol-5-yl)-2,1-benzoxazole |
|
 | | YJQ | | Name: | N-{4-[(5P)-5-(1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide | | Formula: | C18 H14 N6 O2 | | SMILES: | O=C(Nc1ccc(cc1)c1onc2ccc(cc12)c1nnn[NH]1)C1CC1 | | InChi: | InChI=1S/C18H14N6O2/c25-18(11-1-2-11)19-13-6-3-10(4-7-13)16-14-9-12(17-20-23-24-21-17)5-8-15(14)22-26-16/h3-9,11H,1-2H2,(H,19,25)(H,20,21,23,24) | | Definition date: | 2023-12-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | N-{4-[(5P)-5-(1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide |
|
 | | A1ACV | | Name: | (1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine | | Formula: | C25 H27 N9 | | SMILES: | Cn1nc(nn1)c1cc2[NH]c3nc(Cc4ccccc4)nc(NC4CCC(N)CC4)c3c2cc1 | | InChi: | InChI=1S/C25H27N9/c1-34-32-23(31-33-34)16-7-12-19-20(14-16)28-25-22(19)24(27-18-10-8-17(26)9-11-18)29-21(30-25)13-15-5-3-2-4-6-15/h2-7,12,14,17-18H,8-11,13,26H2,1H3,(H2,27,28,29,30)/t17-,18- | | Definition date: | 2024-01-16 | | Last modified: | 2024-11-29 | | Release date: | 2024-12-04 | | Identifier: | (1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine |
|
 | | A1IHW | | Name: | 4-[11-(4-cyanophenyl)-1,5-bis($l^{1}-oxidanyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{5},5$l^{5}-diruthenatricyclo[3.3.3.0^{1,5}]undecan-9-yl]benzenecarbonitrile | | Formula: | C19 H20 N4 O6 Ru2 | | SMILES: | C[CH]1O[Ru]2(O)O[CH](C)O[Ru](O)(O1)N(CN2c3ccc(cc3)C#N)c4ccc(cc4)C#N | | InChi: | InChI=1S/C15H10N4.2C2H4O2.2H2O.2Ru/c16-9-12-1-5-14(6-2-12)18-11-19-15-7-3-13(10-17)4-8-15 | | Definition date: | 2024-07-09 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | 4-[11-(4-cyanophenyl)-3,7-dimethyl-1,5-bis(oxidanyl)-2,4,6,8-tetraoxa-9,11-diaza-1$l^{5},5$l^{5}-diruthenatricyclo[3.3.3.0^{1,5}]undecan-9-yl]benzenecarbonitrile |
|
 | | XBI | | Name: | (3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},7~{S},8~{a}~{S})-5,5,7,8~{a}-tetramethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione | | Formula: | C21 H33 N O4 | | SMILES: | C[CH]1CC(C)(C)[CH]2C[CH](O)C(=C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)[C]2(C)C1 | | InChi: | InChI=1S/C21H33NO4/c1-11-9-20(3,4)17-8-15(23)12(2)14(21(17,5)10-11)7-16(24)13-6-18(25)22-19(13)26/h11,13-17,23-24H,2,6-10H2,1,3-5H3,(H,22,25,26)/t11-,13+,14-,15-,16-,17-,21+/m0/s1 | | Definition date: | 2023-06-06 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},7~{S},8~{a}~{S})-5,5,7,8~{a}-tetramethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione |
|
 | | GR2 | | Name: | (3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one | | Formula: | C17 H14 O5 | | SMILES: | c12CC3C(c1cccc2)OC(=O)C3=[C@H]OC4C=C(C)C(=O)O4 | | InChi: | InChI=1S/C17H14O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,8,12,14-15H,7H2,1H3/b13-8+/t12-,14-,15-/m1/s1 | | Definition date: | 2015-09-02 | | Last modified: | 2024-11-19 | | Release date: | 2015-10-28 | | Identifier: | (3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one |
|
 | | YCZ | | Name: | ~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-3-propylsulfanyl-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide | | Formula: | C13 H13 F3 N8 O S | | SMILES: | CCCSc1nnc2n1c(ccc2C(=O)Nc3nnnn3C)C(F)(F)F | | InChi: | InChI=1S/C13H13F3N8OS/c1-3-6-26-12-20-18-9-7(4-5-8(24(9)12)13(14,15)16)10(25)17-11-19-21-22-23(11)2/h4-5H,3,6H2,1-2H3,(H,17,19,22,25) | | Definition date: | 2023-11-30 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | ~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-3-propylsulfanyl-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
|
 | | A1A1L | | Name: | (4S,5aS,8S,8aR)-N-[(1R,4R,6Z,8R,9R,10R,11R,12S,13R)-4-fluoro-11,12,13-trihydroxy-8-methyl-14-oxa-2-thiabicyclo[8.3.1]tetradec-6-en-9-yl]-4-(2-methylpropyl)octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name) | | Formula: | C26 H43 F N2 O6 S | | SMILES: | CC(C)CC1CC2CNC(C2OCC1)C(=O)NC1C2OC(SCC(F)CC=CC1C)C(O)C(O)C2O | | InChi: | InChI=1S/C26H43FN2O6S/c1-13(2)9-15-7-8-34-23-16(10-15)11-28-19(23)25(33)29-18-14(3)5-4-6-17(27)12-36-26-22(32)20(30)21(31)24(18)35-26/h4-5,13-24,26,28,30-32H,6-12H2,1-3H3,(H,29,33)/b5-4-/t14-,15+,16+,17-,18-,19+,20+,21-,22-,23-,24-,26-/m1/s1 | | Definition date: | 2024-08-08 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | (4S,5aS,8S,8aR)-N-[(1R,4R,6Z,8R,9R,10R,11R,12S,13R)-4-fluoro-11,12,13-trihydroxy-8-methyl-14-oxa-2-thiabicyclo[8.3.1]tetradec-6-en-9-yl]-4-(2-methylpropyl)octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name) |
|
 | | 5X6 | | Name: | Zeaxanthin | | Formula: | C40 H56 O2 | | SMILES: | CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C | | InChi: | InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15?,30-16?,31-19+,32-20+/t35-,36-/m1/s1 | | Synonyms: | (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol | | Definition date: | 2015-12-17 | | Last modified: | 2024-11-15 | | Release date: | 2024-02-14 | | Identifier: | (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol |
|
 | | XPU | | Name: | 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide | | Formula: | C13 H20 B N O4 S | | SMILES: | CC1(C)OB(OC1(C)C)c1ccc(c(C)c1)S(N)(=O)=O | | InChi: | InChI=1S/C13H20BNO4S/c1-9-8-10(6-7-11(9)20(15,16)17)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3,(H2,15,16,17) | | Definition date: | 2023-11-07 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide |
|
 | | R5B | | Name: | RUTHENIUM WIRE WC5 | | Formula: | C45 H61 N7 O Ru | | SMILES: | O(c1cccc(N(C)C)c1)CCCCCC4=C3C=CC2=CC=CN8C2=C3N(C=C4)[Ru]86%11(N7C(C5N6CCCC5)CCCC7)N9CCC=CC9C%10N%11CCCC%10 | | InChi: | InChI=1S/C25H27N3O.C10H18N2.C10H16N2.Ru/c1-28(2)21-10-6-11-22(18-21)29-17-5-3-4-8-19-14-16-27-25-23(19)13-12-20-9-7-15-26-24(20)25 | | Synonyms: | BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[5-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)PENTYL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM | | Definition date: | 2006-02-21 | | Last modified: | 2024-11-13 | | Identifier: | [(2R,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][3-{[5-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~)pentyl]oxy}-N,N-dimethylanilinato(2-)][(6S)-6-[(2R)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium |
|
 | | X56 | | Name: | Cefazolin | | Formula: | C14 H14 N8 O4 S3 | | SMILES: | Cc1sc(SCC2=C(N3[CH](SC2)[CH](NC(=O)Cn4cnnn4)C3=O)C(O)=O)nn1 | | InChi: | InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1 | | Definition date: | 2023-10-30 | | Last modified: | 2024-11-13 | | Release date: | 2024-08-07 | | Identifier: | (6~{R},7~{R})-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-7-[2-(1,2,3,4-tetrazol-1-yl)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
|
 | | Y53 | | Name: | Branaplam | | Formula: | C22 H27 N5 O2 | | SMILES: | CC1(C)CC(CC(C)(C)N1)Oc2ccc(nn2)c3ccc(cc3O)c4c[nH]nc4 | | InChi: | InChI=1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24) | | Synonyms: | 5-(1~{H}-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol | | Definition date: | 2023-11-21 | | Last modified: | 2024-11-11 | | Release date: | 2024-03-06 | | Identifier: | 5-(1~{H}-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol |
|
 | | O6U | | Name: | Nirogacestat | | Formula: | C27 H41 F2 N5 O | | SMILES: | CCC[CH](N[CH]1CCc2cc(F)cc(F)c2C1)C(=O)Nc3cn(cn3)C(C)(C)CNCC(C)(C)C | | InChi: | InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1 | | Definition date: | 2023-08-23 | | Last modified: | 2024-11-11 | | Release date: | 2024-08-14 | | Identifier: | (2~{S})-2-[[(2~{S})-6,8-bis(fluoranyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-~{N}-[1-[1-(2,2-dimethylpropylamino)-2-methyl-propan-2-yl]imidazol-4-yl]pentanamide |
|
 | | 6KB | | Name: | 4-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxybutanoic acid | | Formula: | C19 H30 N5 O19 P3 | | SMILES: | O=C(CCCOC1OC(C(C1O)O)COP(O)(OP(O)(=O)OCC4OC(n3c2c(c(ncn2)N)nc3)C(C4O)OP(O)(=O)O)=O)O | | InChi: | InChI=1S/C19H30N5O19P3/c20-16-11-17(22-6-21-16)24(7-23-11)18-15(42-44(30,31)32)13(28)9(40-18)5-39-46(35,36)43-45(33,34)38-4-8-12(27)14(29)19(41-8)37-3-1-2-10(25)26/h6-9,12-15,18-19,27-29H,1-5H2,(H,25,26)(H,33,34)(H,35,36)(H2,20,21,22)(H2,30,31,32)/t8-,9-,12-,13-,14-,15-,18-,19-/m1/s1 | | Definition date: | 2016-04-21 | | Last modified: | 2024-11-11 | | Release date: | 2017-05-03 | | Identifier: | 4-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]oxy}butanoic acid (non-preferred name) |
|
 | | A1A6A | | Name: | (2S)-phenyl{(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid | | Formula: | C24 H31 N3 O3 | | SMILES: | OC(=O)C(c1ccccc1)N1CCC(OCCCCc2ccc3CCCNc3n2)C1 | | InChi: | InChI=1S/C24H31N3O3/c28-24(29)22(18-7-2-1-3-8-18)27-15-13-21(17-27)30-16-5-4-10-20-12-11-19-9-6-14-25-23(19)26-20/h1-3,7-8,11-12,21-22H,4-6,9-10,13-17H2,(H,25,26)(H,28,29)/t21?,22-/m0/s1 | | Definition date: | 2024-09-11 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | (2S)-phenyl{(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid |
|
 | | A1A6B | | Name: | (2S)-(2-cyclopropylphenyl){(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid | | Formula: | C27 H35 N3 O3 | | SMILES: | OC(=O)C(c1ccccc1C1CC1)N1CCC(OCCCCc2ccc3CCCNc3n2)C1 | | InChi: | InChI=1S/C27H35N3O3/c31-27(32)25(24-9-2-1-8-23(24)19-10-11-19)30-16-14-22(18-30)33-17-4-3-7-21-13-12-20-6-5-15-28-26(20)29-21/h1-2,8-9,12-13,19,22,25H,3-7,10-11,14-18H2,(H,28,29)(H,31,32)/t22-,25+/m1/s1 | | Definition date: | 2024-09-11 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | (2S)-(2-cyclopropylphenyl){(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid |
|
 | | A1L3V | | Name: | (7~{S},9~{S})-7-[(2~{R},4~{S},5~{S},6~{S})-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7~{H}-tetracene-5,12-dione | | Formula: | C27 H31 N O9 | | SMILES: | CC[C]1(O)C[CH](O[CH]2C[CH](N)[CH](O)[CH](C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1 | | InChi: | InChI=1S/C27H31NO9/c1-4-27(34)9-13-19(16(10-27)37-17-8-14(28)22(29)11(2)36-17)26(33)21-20(24(13)31)23(30)12-6-5-7-15(35-3)18(12)25(21)32/h5-7,11,14,16-17,22,29,31,33-34H,4,8-10,28H2,1-3H3/t11-,14-,16-,17-,22+,27-/m0/s1 | | Definition date: | 2024-08-21 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | (7~{S},9~{S})-7-[(2~{R},4~{S},5~{S},6~{S})-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7~{H}-tetracene-5,12-dione |
|
 | | I3O | | Name: | tert-butyl 3-[(2S,5S,8S)-14-methoxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate | | Formula: | C26 H35 N3 O5 | | SMILES: | COc1ccc2c([nH]c3[CH](CC(C)C)N4[CH](Cc23)C(=O)N[CH](CCC(=O)OC(C)(C)C)C4=O)c1 | | InChi: | InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1 | | Definition date: | 2023-07-26 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | ~{tert}-butyl 3-[(2~{S},5~{S},8~{S})-14-methoxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate |
|
