 | | E2A | | Name: | ~{O}1-methyl ~{O}3-(phenylmethyl) (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate | | Formula: | | | SMILES: | COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)OCc2ccccc2 | | InChi: | InChI=1S/C17H20O5/c1-17(16(20)21-2)9-8-14(18)13(10-17)15(19)22-11-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-,17+/m1/s1 | | Definition date: | 2023-07-18 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | ~{O}1-methyl ~{O}3-(phenylmethyl) (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate |
|
 | | EAI | | Name: | ~{O}1-methyl ~{O}3-(phenylmethyl) (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate | | Formula: | C17 H20 O5 | | SMILES: | COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)OCc2ccccc2 | | InChi: | InChI=1S/C17H20O5/c1-17(16(20)21-2)9-8-14(18)13(10-17)15(19)22-11-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-,17+/m0/s1 | | Definition date: | 2023-07-18 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | ~{O}1-methyl ~{O}3-(phenylmethyl) (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate |
|
 | | EI0 | | Name: | ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate | | Formula: | C20 H26 O5 | | SMILES: | CC(C)(C)OC(=O)C1CC(Cc2ccccc2)(CCC1=O)C(=O)OC | | InChi: | InChI=1S/C20H26O5/c1-19(2,3)25-17(22)15-13-20(18(23)24-4,11-10-16(15)21)12-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3/t15-,20-/m1/s1 | | Definition date: | 2023-07-18 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate |
|
 | | EIF | | Name: | [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | Formula: | C11 H15 F N5 O7 P | | SMILES: | C[C]1(F)[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N | | InChi: | InChI=1S/C11H15FN5O7P/c1-11(12)6(18)4(2-23-25(20,21)22)24-9(11)17-3-14-5-7(17)15-10(13)16-8(5)19/h3-4,6,9,18H,2H2,1H3,(H2,20,21,22)(H3,13,15,16,19)/t4-,6-,9-,11-/m1/s1 | | Definition date: | 2023-07-18 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
|
 | | A1H8F | | Name: | N-[3-(6-chloranyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]butanamide | | Formula: | C18 H24 Cl N3 O | | SMILES: | CCCC(=O)NCCCN1CCc2c(C1)[nH]c3ccc(Cl)cc23 | | InChi: | InChI=1S/C18H24ClN3O/c1-2-4-18(23)20-8-3-9-22-10-7-14-15-11-13(19)5-6-16(15)21-17(14)12-22/h5-6,11,21H,2-4,7-10,12H2,1H3,(H,20,23) | | Definition date: | 2024-04-15 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | ~{N}-[3-(6-chloranyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]butanamide |
|
 | | A1IDU | | Name: | 6-[(6-azanyl-4-oxidanyl-naphthalen-2-yl)sulfonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid | | Formula: | C20 H16 N2 O7 S2 | | SMILES: | Nc1ccc2cc(cc(O)c2c1)[S](=O)(=O)Nc3ccc4cc(cc(O)c4c3)[S](O)(=O)=O | | InChi: | InChI=1S/C20H16N2O7S2/c21-13-3-1-11-5-15(9-19(23)17(11)7-13)30(25,26)22-14-4-2-12-6-16(31(27,28)29)10-20(24)18(12)8-14/h1-10,22-24H,21H2,(H,27,28,29) | | Definition date: | 2024-06-06 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | 6-[(6-azanyl-4-oxidanyl-naphthalen-2-yl)sulfonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid |
|
 | | A1LXX | | Name: | 4-[dodecyl(dimethyl)-$l^{4}-azanyl]butanoic acid | | Formula: | C18 H38 N O2 | | SMILES: | CCCCCCCCCCCC[N+](C)(C)CCCC(O)=O | | InChi: | InChI=1S/C18H37NO2/c1-4-5-6-7-8-9-10-11-12-13-16-19(2,3)17-14-15-18(20)21/h4-17H2,1-3H3/p+1 | | Definition date: | 2024-02-06 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | dodecyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium |
|
 | | I7G | | Name: | ~{S}-(2-acetamidoethyl) (~{E})-oct-2-enethioate | | Formula: | C12 H21 N O2 S | | SMILES: | CCCCCC=CC(=O)SCCNC(C)=O | | InChi: | InChI=1S/C12H21NO2S/c1-3-4-5-6-7-8-12(15)16-10-9-13-11(2)14/h7-8H,3-6,9-10H2,1-2H3,(H,13,14)/b8-7+ | | Synonyms: | S-2-acetamidoethyl (e)-oct-2-enethioate | | Definition date: | 2023-07-26 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | ~{S}-(2-acetamidoethyl) (~{E})-oct-2-enethioate |
|
 | | F2V | | Name: | 6-[(5~{R})-7-[3-chloranyl-4-(trifluoromethyl)phenyl]-2,7-diazaspiro[4.4]nonan-2-yl]-7-methyl-purine | | Formula: | C20 H20 Cl F3 N6 | | SMILES: | Cn1cnc2ncnc(N3CC[C]4(CCN(C4)c5ccc(c(Cl)c5)C(F)(F)F)C3)c12 | | InChi: | InChI=1S/C20H20ClF3N6/c1-28-12-27-17-16(28)18(26-11-25-17)30-7-5-19(10-30)4-6-29(9-19)13-2-3-14(15(21)8-13)20(22,23)24/h2-3,8,11-12H,4-7,9-10H2,1H3/t19-/m1/s1 | | Definition date: | 2023-07-18 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | 6-[(5~{R})-7-[3-chloranyl-4-(trifluoromethyl)phenyl]-2,7-diazaspiro[4.4]nonan-2-yl]-7-methyl-purine |
|
 | | IR0 | | Name: | P8W48O184 polyoxometalate | | Formula: | O184 P8 W48 | | SMILES: | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[P]23O[W]45O[W]67O[P]89O[W]%10%11O[W]1%12O[W]%13%14O[W]%15(O%12)O[W]%16%17O[W]%18%19O[P]%20%21O[W]%22%23O[W]%24%25O[P]%26%27O[W]%28(O%18)O[W]%29%30O[W](O%19)(O%16)O[W]%31(O%20)(O%22)O[W](O%21)(O%17)(O%23)O[W](O2)(O%15)(O4)O[W](O3)(O%13)(O5)O[W]%32(O8)(O[W](O%10)(O%14)O[W]%33(O%11)O[W]%34%35O[W]%36%37O[P]%38%39O[W]%40%41O[W]%42%43O[P]%44%45O[W]%46(O%36)O[W]%47%48O[W](O%37)(O%34)O[W](O%38)(O%40)(O[W](O%39)(O%35)(O%41)O[W](O9)(O%33)(O6)O%32)O[W](O%44)(O%47)(O%42)O[W]%49(O%45)(O[W](O%46)(O%48)O[W]%50%51O[W]%52%53O[P]%54%55O[W]%56%57O[W]%58%59O[P]%60%61O[W]%62(O%52)O[W]%63%64O[W](O%28)(O%29)O[W](O%26)(O%24)(O[W](O%27)(O%30)(O%25)O%31)O[W](O%60)(O%63)(O%58)O[W]%65(O%61)(O[W](O%62)(O%64)O[W](O%53)(O%50)O[W](O%54)(O%56)(O%65)O[W](O%55)(O%51)(O%57)O%49)O%59)O%43)O7 | | InChi: | InChI=1S/8HO4P.64H2O.88O.48W/c8*1-5(2,3)4 | | Definition date: | 2023-08-03 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 |
|
 | | 56I | | Name: | [(1R,2R,3R,4R,5S)-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclohexyl]sulfamic acid | | Formula: | C7 H15 N O7 S | | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)C[CH]1N[S](O)(=O)=O | | InChi: | InChI=1S/C7H15NO7S/c9-2-3-4(8-16(13,14)15)1-5(10)7(12)6(3)11/h3-12H,1-2H2,(H,13,14,15)/t3-,4+,5-,6+,7+/m0/s1 | | Definition date: | 2021-07-07 | | Last modified: | 2024-07-19 | | Release date: | 2022-07-13 | | Identifier: | [(1~{R},2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclohexyl]sulfamic acid |
|
 | | A3O | | Name: | methyl (1R,3R)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methylcarbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate | | Formula: | C34 H34 N6 O5 | | SMILES: | COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)NCc2cccc(c2)C(=O)Nc3ccc(Nc4nccc(n4)c5cccnc5)c(C)c3 | | InChi: | InChI=1S/C34H34N6O5/c1-21-16-25(9-10-27(21)39-33-36-15-12-28(40-33)24-8-5-14-35-20-24)38-30(42)23-7-4-6-22(17-23)19-37-31(43)26-18-34(2,32(44)45-3)13-11-29(26)41/h4-10,12,14-17,20,26H,11,13,18-19H2,1-3H3,(H,37,43)(H,38,42)(H,36,39,40)/t26-,34-/m1/s1 | | Definition date: | 2023-07-17 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | methyl (1~{R},3~{R})-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methylcarbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate |
|
 | | VCC | | Name: | 1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid | | Formula: | C11 H8 F3 N3 O2 | | SMILES: | Nc1ccccc1n2ncc(C(O)=O)c2C(F)(F)F | | InChi: | InChI=1S/C11H8F3N3O2/c12-11(13,14)9-6(10(18)19)5-16-17(9)8-4-2-1-3-7(8)15/h1-5H,15H2,(H,18,19) | | Definition date: | 2023-09-11 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | 1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid |
|
 | | VIW | | Name: | 3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid | | Formula: | C18 H15 N3 O2 | | SMILES: | Nc1cccc(c2cn(CCC(O)=O)c3ccccc23)c1C#N | | InChi: | InChI=1S/C18H15N3O2/c19-10-14-12(5-3-6-16(14)20)15-11-21(9-8-18(22)23)17-7-2-1-4-13(15)17/h1-7,11H,8-9,20H2,(H,22,23) | | Definition date: | 2023-09-13 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | 3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid |
|
 | | VJ7 | | Name: | 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide | | Formula: | C24 H22 N2 O4 S | | SMILES: | Cc1cn(CCC(=O)N[S](=O)(=O)c2ccc(Oc3ccccc3)cc2)c4ccccc14 | | InChi: | InChI=1S/C24H22N2O4S/c1-18-17-26(23-10-6-5-9-22(18)23)16-15-24(27)25-31(28,29)21-13-11-20(12-14-21)30-19-7-3-2-4-8-19/h2-14,17H,15-16H2,1H3,(H,25,27) | | Definition date: | 2023-09-13 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide |
|
 | | VVH | | Name: | 5-[[5-[[2-[bis(fluoranyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methoxy]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile | | Formula: | C32 H29 F2 N3 O5 | | SMILES: | OCCNCc1ccc(OCc2cccc(c3ccc4OCCOc4c3)c2C(F)F)cc1OCc5cncc(c5)C#N | | InChi: | InChI=1S/C32H29F2N3O5/c33-32(34)31-25(2-1-3-27(31)23-5-7-28-30(13-23)40-11-10-39-28)20-41-26-6-4-24(18-36-8-9-38)29(14-26)42-19-22-12-21(15-35)16-37-17-22/h1-7,12-14,16-17,32,36,38H,8-11,18-20H2 | | Definition date: | 2023-04-05 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | 5-[[5-[[2-[bis(fluoranyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methoxy]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile |
|
 | | WE3 | | Name: | ~{N}-[(2~{R},3~{S})-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-oxetan-3-yl]-2,3-bis(oxidanyl)benzamide | | Formula: | C17 H14 N2 O7 | | SMILES: | Oc1cccc(c1O)C(=O)N[CH]2[CH](Cc3ccc(cc3)[N+]([O-])=O)OC2=O | | InChi: | InChI=1S/C17H14N2O7/c20-12-3-1-2-11(15(12)21)16(22)18-14-13(26-17(14)23)8-9-4-6-10(7-5-9)19(24)25/h1-7,13-14,20-21H,8H2,(H,18,22)/t13-,14+/m1/s1 | | Synonyms: | Obafluorin | | Definition date: | 2023-09-30 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | ~{N}-[(2~{R},3~{S})-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-oxetan-3-yl]-2,3-bis(oxidanyl)benzamide |
|
 | | WOF | | Name: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(methylamino)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline | | Formula: | C23 H29 N7 O6 S | | SMILES: | O=C(O)C1OC(C(O)C(O)C1O)N1CCN(CC1)c1nnnc2c1sc1nc(NC)c3CCCCc3c12 | | InChi: | InChI=1S/C23H29N7O6S/c1-24-19-11-5-3-2-4-10(11)12-13-18(37-21(12)25-19)20(27-28-26-13)29-6-8-30(9-7-29)22-16(33)14(31)15(32)17(36-22)23(34)35/h14-17,22,31-33H,2-9H2,1H3,(H,24,25)(H,34,35)/t14-,15-,16+,17-,22+/m0/s1 | | Definition date: | 2023-10-09 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(methylamino)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline |
|
 | | WR8 | | Name: | N-methyl-8-(piperazin-1-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-amine | | Formula: | C17 H21 N7 S | | SMILES: | CNc1nc2sc3c(nnnc3c2c2CCCCc12)N1CCNCC1 | | InChi: | InChI=1S/C17H21N7S/c1-18-15-11-5-3-2-4-10(11)12-13-14(25-17(12)20-15)16(22-23-21-13)24-8-6-19-7-9-24/h19H,2-9H2,1H3,(H,18,20) | | Definition date: | 2023-10-10 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | N-methyl-8-(piperazin-1-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-amine |
|
 | | X3L | | Name: | (3~{R})-6-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one | | Formula: | C22 H27 N7 O | | SMILES: | CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4c(C)[nH]nc4C)cc12 | | InChi: | InChI=1S/C22H27N7O/c1-12(2)29-15(5)21(30)28(6)18-8-7-16(11-19(18)29)24-22-23-10-9-17(25-22)20-13(3)26-27-14(20)4/h7-12,15H,1-6H3,(H,26,27)(H,23,24,25)/t15-/m1/s1 | | Definition date: | 2023-10-20 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | (3~{R})-6-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one |
|
 | | CIF | | Name: | methyl (1R,3S)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate | | Formula: | C33 H32 N6 O5 | | SMILES: | COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)Nc2cccc(c2)C(=O)Nc3ccc(Nc4nccc(n4)c5cccnc5)c(C)c3 | | InChi: | InChI=1S/C33H32N6O5/c1-20-16-24(9-10-26(20)38-32-35-15-12-27(39-32)22-7-5-14-34-19-22)36-29(41)21-6-4-8-23(17-21)37-30(42)25-18-33(2,31(43)44-3)13-11-28(25)40/h4-10,12,14-17,19,25H,11,13,18H2,1-3H3,(H,36,41)(H,37,42)(H,35,38,39)/t25-,33+/m0/s1 | | Definition date: | 2023-07-17 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | methyl (1~{R},3~{S})-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate |
|
 | | 9RI | | Name: | N~6~-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N~6~-methyl-L-lysine | | Formula: | C14 H26 N2 O2 | | SMILES: | CN(CCCCC(N)C(=O)O)C1CC2CCC1C2 | | InChi: | InChI=1S/C14H26N2O2/c1-16(7-3-2-4-12(15)14(17)18)13-9-10-5-6-11(13)8-10/h10-13H,2-9,15H2,1H3,(H,17,18)/t10-,11+,12-,13-/m0/s1 | | Definition date: | 2021-10-26 | | Last modified: | 2024-07-16 | | Release date: | 2021-11-17 | | Identifier: | N~6~-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N~6~-methyl-L-lysine |
|
 | | GFX | | Name: | methyl 4-fluoro-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate, radical | | Formula: | C10 H16 F N O3 | | SMILES: | FC1=C(C(=O)OC)C(C)(C)N(O)C1(C)C | | InChi: | InChI=1S/C10H16FNO3/c1-9(2)6(8(13)15-5)7(11)10(3,4)12(9)14/h14H,1-5H3 | | Definition date: | 2023-07-20 | | Last modified: | 2024-07-15 | | Release date: | 2024-06-05 | | Identifier: | methyl 4-fluoro-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate |
|
 | | ZQT | | Name: | 9H-xanthene-1,3,6,8-tetrol | | Formula: | C13 H10 O5 | | SMILES: | Oc1cc(O)cc2Oc3cc(O)cc(O)c3Cc21 | | InChi: | InChI=1S/C13H10O5/c14-6-1-10(16)8-5-9-11(17)2-7(15)4-13(9)18-12(8)3-6/h1-4,14-17H,5H2 | | Definition date: | 2023-07-03 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | 9H-xanthene-1,3,6,8-tetrol |
|
 | | A1APU | | Name: | Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide | | Formula: | C36 H35 N3 O4 S | | SMILES: | CNC(=O)C(Cc1ccc(C)c(OC)c1)NC(=O)CSc1ccc2ccccc2c1c1cncc(OCc2ccccc2)c1 | | InChi: | InChI=1S/C36H35N3O4S/c1-24-13-14-26(18-32(24)42-3)17-31(36(41)37-2)39-34(40)23-44-33-16-15-27-11-7-8-12-30(27)35(33)28-19-29(21-38-20-28)43-22-25-9-5-4-6-10-25/h4-16,18-21,31H,17,22-23H2,1-3H3,(H,37,41)(H,39,40)/t31-/m0/s1 | | Definition date: | 2024-04-26 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide |
|
