![UGU UGU](https://data.pdbj.org/pdbjplus/data/cc/svg/UGU.svg) | UGU | Name: | (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid | Formula: | C20 H34 O5 | SMILES: | CCCCC[CH](O)C=C[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O | InChi: | InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1 | Synonyms: | Dinoprost | Definition date: | 2023-05-30 | Last modified: | 2023-11-01 | Release date: | 2023-07-12 | Identifier: | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-3,5-bis(oxidanyl)-2-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid |
|
![WYB WYB](https://data.pdbj.org/pdbjplus/data/cc/svg/WYB.svg) | WYB | Name: | 2,2'-[(2-chloro-5-cyano-1,3-phenylene)bis(azanediyl)]bis(oxoacetic acid) | Formula: | C11 H6 Cl N3 O6 | SMILES: | Clc1c(cc(cc1NC(=O)C(=O)O)C#N)NC(=O)C(=O)O | InChi: | InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21) | Synonyms: | Lodoxamide | Definition date: | 2022-10-24 | Last modified: | 2023-10-31 | Release date: | 2023-02-08 | Identifier: | 2,2'-[(2-chloro-5-cyano-1,3-phenylene)bis(azanediyl)]bis(oxoacetic acid) |
|
![OCW OCW](https://data.pdbj.org/pdbjplus/data/cc/svg/OCW.svg) | OCW | Name: | Tetracenomycin X | Formula: | C24 H22 O11 | SMILES: | COC(=O)c1c(C)c2c(O)c3C(=O)[C]4(OC)C(=O)C=C(OC)[CH](O)[C]4(O)C(=O)c3cc2cc1OC | InChi: | InChI=1S/C24H22O11/c1-9-15-10(7-12(32-2)16(9)22(30)34-4)6-11-17(18(15)26)21(29)24(35-5)14(25)8-13(33-3)20(28)23(24,31)19(11)27/h6-8,20,26,28,31H,1-5H3/t20-,23-,24-/m1/s1 | Synonyms: | methyl (6aR,7S,10aR)-3,8,10a-trimethoxy-1-methyl-6a,7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7H-tetracene-2-carboxylate | Definition date: | 2020-02-27 | Last modified: | 2023-10-31 | Release date: | 2020-07-01 | Identifier: | methyl (6~{a}~{R},7~{S},10~{a}~{R})-3,8,10~{a}-trimethoxy-1-methyl-6~{a},7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7~{H}-tetracene-2-carboxylate |
|
![Y9E Y9E](https://data.pdbj.org/pdbjplus/data/cc/svg/Y9E.svg) | Y9E | Name: | 2-oxo-4-phenylbutanoic acid | Formula: | C10 H10 O3 | SMILES: | O=C(O)C(=O)CCc1ccccc1 | InChi: | InChI=1S/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13) | Definition date: | 2023-01-17 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 2-oxo-4-phenylbutanoic acid |
|
![YBK YBK](https://data.pdbj.org/pdbjplus/data/cc/svg/YBK.svg) | YBK | Name: | 8-methoxy-3-methyl-N-{(2S)-3,3,3-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-hydroxypropyl}cinnoline-6-carboxamide | Formula: | C28 H25 F5 N4 O4 | SMILES: | CC(C)(O)c1cc(nc(c2ccc(F)cc2)c1F)C(O)(CNC(=O)c1cc2cc(C)nnc2c(c1)OC)C(F)(F)F | InChi: | InChI=1S/C28H25F5N4O4/c1-14-9-16-10-17(11-20(41-4)23(16)37-36-14)25(38)34-13-27(40,28(31,32)33)21-12-19(26(2,3)39)22(30)24(35-21)15-5-7-18(29)8-6-15/h5-12,39-40H,13H2,1-4H3,(H,34,38)/t27-/m0/s1 | Definition date: | 2023-01-23 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 8-methoxy-3-methyl-N-{(2S)-3,3,3-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-hydroxypropyl}cinnoline-6-carboxamide |
|
![ZWW ZWW](https://data.pdbj.org/pdbjplus/data/cc/svg/ZWW.svg) | ZWW | Name: | 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid | Formula: | C50 H57 N5 O20 | SMILES: | Cc1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(Cc5[nH]cc(CCC(O)=O)c5CC(O)=O)c(CCC(O)=O)c4CC(O)=O)c(CCC(O)=O)c3CC(O)=O)c(CCC(O)=O)c2CC(O)=O)c(CCC(O)=O)c1CC(O)=O | InChi: | InChI=1S/C50H57N5O20/c1-22-28(12-46(66)67)24(3-8-42(58)59)34(52-22)18-38-31(15-49(72)73)26(5-10-44(62)63)36(54-38)20-40-32(16-50(74)75)27(6-11-45(64)65)37(55-40)19-39-30(14-48(70)71)25(4-9-43(60)61)35(53-39)17-33-29(13-47(68)69)23(21-51-33)2-7-41(56)57/h21,51-55H,2-20H2,1H3,(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75) | Definition date: | 2023-07-06 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid |
|
![ZXH ZXH](https://data.pdbj.org/pdbjplus/data/cc/svg/ZXH.svg) | ZXH | Name: | N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide | Formula: | C23 H28 Cl N3 O3 | SMILES: | OC1COCC1(C)N1CCC(CC1)c1cc2cc(NC(=O)C3CC3)ncc2cc1Cl | InChi: | InChI=1S/C23H28ClN3O3/c1-23(13-30-12-20(23)28)27-6-4-14(5-7-27)18-8-16-10-21(26-22(29)15-2-3-15)25-11-17(16)9-19(18)24/h8-11,14-15,20,28H,2-7,12-13H2,1H3,(H,25,26,29)/t20-,23+/m0/s1 | Definition date: | 2023-04-17 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide |
|
![ZXP ZXP](https://data.pdbj.org/pdbjplus/data/cc/svg/ZXP.svg) | ZXP | Name: | (1S)-N-(7-chloro-6-{4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl}isoquinolin-3-yl)-6-oxaspiro[2.5]octane-1-carboxamide | Formula: | C26 H33 Cl N4 O4 | SMILES: | OC1COCC1(C)N1CCN(CC1)c1cc2cc(NC(=O)C3CC43CCOCC4)ncc2cc1Cl | InChi: | InChI=1S/C26H33ClN4O4/c1-25(16-35-15-22(25)32)31-6-4-30(5-7-31)21-11-17-12-23(28-14-18(17)10-20(21)27)29-24(33)19-13-26(19)2-8-34-9-3-26/h10-12,14,19,22,32H,2-9,13,15-16H2,1H3,(H,28,29,33)/t19-,22+,25-/m1/s1 | Definition date: | 2023-04-17 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | (1S)-N-(7-chloro-6-{4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl}isoquinolin-3-yl)-6-oxaspiro[2.5]octane-1-carboxamide |
|
![YT9 YT9](https://data.pdbj.org/pdbjplus/data/cc/svg/YT9.svg) | YT9 | Name: | 3-azanyl-3-(hydroxymethyl)-1,5,7,11-tetraoxa-6$l^{4}-boraspiro[5.5]undecan-9-ol | Formula: | C7 H15 B N O6 | SMILES: | OCC1(N)CO[B-]2(OCC(O)CO2)OC1 | InChi: | InChI=1S/C7H15BNO6/c9-7(3-10)4-14-8(15-5-7)12-1-6(11)2-13-8/h6,10-11H,1-5,9H2/q-1/t6-,7-,8-/m0/s1 | Definition date: | 2023-06-20 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | [(2S)-2-amino-2-[(hydroxy-kappaO)methyl]propane-1,3-diolato(2-)-kappaO~1~][(2S)-propane-1,2,3-triolato(2-)-kappa~2~O~1~,O~3~]borate(1-) |
|
![ZIZ ZIZ](https://data.pdbj.org/pdbjplus/data/cc/svg/ZIZ.svg) | ZIZ | Name: | N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide | Formula: | C15 H21 I3 N6 O6 | SMILES: | ICC(=O)NCC(=O)N1CN(CN(C1)C(=O)CNC(=O)CI)C(=O)CNC(=O)CI | InChi: | InChI=1S/C15H21I3N6O6/c16-1-10(25)19-4-13(28)22-7-23(14(29)5-20-11(26)2-17)9-24(8-22)15(30)6-21-12(27)3-18/h1-9H2,(H,19,25)(H,20,26)(H,21,27) | Definition date: | 2023-06-26 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | ~{N}-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide |
|
![YHL YHL](https://data.pdbj.org/pdbjplus/data/cc/svg/YHL.svg) | YHL | Name: | tetrabenazine | Formula: | C19 H27 N O3 | SMILES: | CC(C)CC1CN2CCc3cc(OC)c(OC)cc3C2CC1=O | InChi: | InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m1/s1 | Synonyms: | (3R,5R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one | Definition date: | 2023-06-17 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | (3R,5R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one |
|
![YHR YHR](https://data.pdbj.org/pdbjplus/data/cc/svg/YHR.svg) | YHR | Name: | reserpine | Formula: | C33 H40 N2 O9 | SMILES: | COc1cc(cc(OC)c1OC)C(=O)OC1CC2CN3CCc4c5ccc(OC)cc5[NH]c4C3CC2C(C1OC)C(=O)OC | InChi: | InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1 | Synonyms: | methyl (4R)-11,17beta-dimethoxy-18beta-[(3,4,5-trimethoxybenzoyl)oxy]-3beta,20alpha-yohimban-16beta-carboxylate | Definition date: | 2023-06-17 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | methyl (4R)-11,17beta-dimethoxy-18beta-[(3,4,5-trimethoxybenzoyl)oxy]-3beta,20alpha-yohimban-16beta-carboxylate |
|
![YI9 YI9](https://data.pdbj.org/pdbjplus/data/cc/svg/YI9.svg) | YI9 | Name: | 6-(octylamino)pyrimidine-2,4(3H,5H)-dione | Formula: | C12 H21 N3 O2 | SMILES: | O=C1N=C(NCCCCCCCC)CC(=O)N1 | InChi: | InChI=1S/C12H21N3O2/c1-2-3-4-5-6-7-8-13-10-9-11(16)15-12(17)14-10/h2-9H2,1H3,(H2,13,14,15,16,17) | Definition date: | 2023-02-03 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 6-(octylamino)pyrimidine-2,4(3H,5H)-dione |
|
![FXL FXL](https://data.pdbj.org/pdbjplus/data/cc/svg/FXL.svg) | FXL | Name: | (2R)-2-azanyl-3-(3-chlorophenyl)propanoic acid | Formula: | C9 H10 Cl N O2 | SMILES: | N[CH](Cc1cccc(Cl)c1)C(O)=O | InChi: | InChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1 | Definition date: | 2020-06-30 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | (2~{R})-2-azanyl-3-(3-chlorophenyl)propanoic acid |
|
![VPI VPI](https://data.pdbj.org/pdbjplus/data/cc/svg/VPI.svg) | VPI | Name: | [(3~{R})-4-[[3-(6-acetamidohexylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate | Formula: | C17 H34 N3 O8 P | SMILES: | CC(=O)NCCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O | InChi: | InChI=1S/C17H34N3O8P/c1-13(21)18-9-6-4-5-7-10-19-14(22)8-11-20-16(24)15(23)17(2,3)12-28-29(25,26)27/h15,23H,4-12H2,1-3H3,(H,18,21)(H,19,22)(H,20,24)(H2,25,26,27)/t15-/m0/s1 | Definition date: | 2023-08-02 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | [(3~{R})-4-[[3-(6-acetamidohexylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate |
|
![VUT VUT](https://data.pdbj.org/pdbjplus/data/cc/svg/VUT.svg) | VUT | Name: | 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide | Formula: | C13 H8 Cl2 N2 O4 | SMILES: | Clc1cc(ccc1NC(=O)c1cc(Cl)ccc1O)[N+]([O-])=O | InChi: | InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19) | Synonyms: | Niclosamide | Definition date: | 2023-09-19 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide |
|
![KZ3 KZ3](https://data.pdbj.org/pdbjplus/data/cc/svg/KZ3.svg) | KZ3 | Name: | (2R,3R,4S,5S,6R)-2-[3-[(4-cyclopropylphenyl)methyl]-4-fluoranyl-indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol | Formula: | C24 H26 F N O5 | SMILES: | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2cc(Cc3ccc(cc3)C4CC4)c5c(F)cccc25 | InChi: | InChI=1S/C24H26FNO5/c25-17-2-1-3-18-20(17)16(10-13-4-6-14(7-5-13)15-8-9-15)11-26(18)24-23(30)22(29)21(28)19(12-27)31-24/h1-7,11,15,19,21-24,27-30H,8-10,12H2/t19-,21-,22+,23-,24-/m1/s1 | Definition date: | 2022-11-01 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | (2~{R},3~{R},4~{S},5~{S},6~{R})-2-[3-[(4-cyclopropylphenyl)methyl]-4-fluoranyl-indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol |
|
![L1N L1N](https://data.pdbj.org/pdbjplus/data/cc/svg/L1N.svg) | L1N | Name: | 4-[(~{E})-(7-oxidanyl-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-~{N}-pyridin-2-yl-benzenesulfonamide | Formula: | C21 H15 N5 O3 S2 | SMILES: | Oc1[nH]c2ccc3ncsc3c2c1C=Nc4ccc(cc4)[S](=O)(=O)Nc5ccccn5 | InChi: | InChI=1S/C21H15N5O3S2/c27-21-15(19-16(25-21)8-9-17-20(19)30-12-24-17)11-23-13-4-6-14(7-5-13)31(28,29)26-18-3-1-2-10-22-18/h1-12,25,27H,(H,22,26)/b23-11+ | Definition date: | 2022-11-06 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 4-[(~{E})-(7-oxidanyl-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-~{N}-pyridin-2-yl-benzenesulfonamide |
|
![IS9 IS9](https://data.pdbj.org/pdbjplus/data/cc/svg/IS9.svg) | IS9 | Name: | dimethylcarbamodithioic acid | Formula: | C3 H7 N S2 | SMILES: | CN(C)C(S)=S | InChi: | InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6) | Definition date: | 2023-08-03 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | dimethylcarbamodithioic acid |
|
![WSR WSR](https://data.pdbj.org/pdbjplus/data/cc/svg/WSR.svg) | WSR | Name: | (1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name) | Formula: | C25 H41 F O5 S | SMILES: | FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OS(=O)(=O)O | InChi: | InChI=1S/C25H41FO5S/c1-16(4-6-18(27)15-26)21-8-9-22-20-7-5-17-14-19(31-32(28,29)30)10-12-24(17,2)23(20)11-13-25(21,22)3/h16-17,19-23H,4-15H2,1-3H3,(H,28,29,30)/t16-,17-,19-,20+,21-,22+,23+,24+,25-/m1/s1 | Definition date: | 2022-10-17 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | (1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name) |
|
![WU5 WU5](https://data.pdbj.org/pdbjplus/data/cc/svg/WU5.svg) | WU5 | Name: | (5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name) | Formula: | C25 H41 F O2 | SMILES: | FCC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C | InChi: | InChI=1S/C25H41FO2/c1-16(4-6-19(28)15-26)21-8-9-22-20-7-5-17-14-18(27)10-12-24(17,2)23(20)11-13-25(21,22)3/h16-18,20-23,27H,4-15H2,1-3H3/t16-,17-,18-,20+,21-,22+,23+,24+,25-/m1/s1 | Definition date: | 2022-10-19 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | (5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name) |
|
![WU9 WU9](https://data.pdbj.org/pdbjplus/data/cc/svg/WU9.svg) | WU9 | Name: | (5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name) | Formula: | C32 H51 F O4 | SMILES: | FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OCCOCCOCC#C | InChi: | InChI=1S/C32H51FO4/c1-5-16-35-17-18-36-19-20-37-26-12-14-31(3)24(21-26)7-9-27-29-11-10-28(23(2)6-8-25(34)22-33)32(29,4)15-13-30(27)31/h1,23-24,26-30H,6-22H2,2-4H3/t23-,24-,26-,27+,28-,29+,30+,31+,32-/m1/s1 | Definition date: | 2022-10-19 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | (5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name) |
|
![Y6H Y6H](https://data.pdbj.org/pdbjplus/data/cc/svg/Y6H.svg) | Y6H | Name: | 4-({[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}amino)-3-methoxybenzoic acid | Formula: | C25 H33 N O5 | SMILES: | CC1(C)COC(OC1)(c1ccc(CNc2ccc(cc2OC)C(=O)O)cc1)C(C)(C)C | InChi: | InChI=1S/C25H33NO5/c1-23(2,3)25(30-15-24(4,5)16-31-25)19-10-7-17(8-11-19)14-26-20-12-9-18(22(27)28)13-21(20)29-6/h7-13,26H,14-16H2,1-6H3,(H,27,28) | Definition date: | 2023-01-06 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 4-({[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}amino)-3-methoxybenzoic acid |
|
![5A5 5A5](https://data.pdbj.org/pdbjplus/data/cc/svg/5A5.svg) | 5A5 | Name: | 2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid | Formula: | C14 H16 N2 O2 S | SMILES: | CC(C)c1ccc(Cc2sc(N)nc2C(O)=O)cc1 | InChi: | InChI=1S/C14H16N2O2S/c1-8(2)10-5-3-9(4-6-10)7-11-12(13(17)18)16-14(15)19-11/h3-6,8H,7H2,1-2H3,(H2,15,16)(H,17,18) | Definition date: | 2023-01-09 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid |
|
![5I6 5I6](https://data.pdbj.org/pdbjplus/data/cc/svg/5I6.svg) | 5I6 | Name: | 2-azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid | Formula: | C15 H16 N2 O3 S | SMILES: | Nc1sc(Cc2ccc(OCCC=C)cc2)c(n1)C(O)=O | InChi: | InChI=1S/C15H16N2O3S/c1-2-3-8-20-11-6-4-10(5-7-11)9-12-13(14(18)19)17-15(16)21-12/h2,4-7H,1,3,8-9H2,(H2,16,17)(H,18,19) | Definition date: | 2023-01-09 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 2-azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid |
|