![CIV CIV](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/CIV.svg) | CIV | Name: | 2-[2-[(1~{S})-1,5-bis(azanyl)pentyl]-4-[(4-hydroxyphenyl)methyl]-5-oxidanylidene-imidazol-1-yl]ethanamide | Formula: | C17 H24 N5 O3 | SMILES: | NCCCCC(N)C=1N=C(Cc2ccc(O)cc2)C(=O)[N+]=1CC(N)=O | InChi: | InChI=1S/C17H23N5O3/c18-8-2-1-3-13(19)16-21-14(17(25)22(16)10-15(20)24)9-11-4-6-12(23)7-5-11/h4-7,13H,1-3,8-10,18-19H2,(H2-,20,23,24)/p+1/t13-/m0/s1 | Synonyms: | CHROMOPHORE (LYS-TYR-GLY) | Definition date: | 2021-11-22 | Last modified: | 2024-05-06 | Release date: | 2022-04-20 | Identifier: | 3-(2-amino-2-oxoethyl)-2-[(1S)-1,5-diaminopentyl]-5-[(4-hydroxyphenyl)methyl]-4-oxo-4H-imidazol-3-ium |
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![Y6Z Y6Z](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/Y6Z.svg) | Y6Z | Name: | Antascomicine B | Formula: | C37 H57 N O10 | SMILES: | C[CH]1CC[CH](OC(=O)[CH]2CCCCN2C(=O)C(=O)[C]3(O)O[CH](CC[CH]3C)[CH](C)C(=O)C=CCCC=C1)[CH](C)C[CH]4CC[CH](O)[CH](O)[CH]4O | InChi: | InChI=1S/C37H57NO10/c1-22-11-7-5-6-8-13-28(39)25(4)31-19-15-24(3)37(46,48-31)34(43)35(44)38-20-10-9-12-27(38)36(45)47-30(18-14-22)23(2)21-26-16-17-29(40)33(42)32(26)41/h7-8,11,13,22-27,29-33,40-42,46H,5-6,9-10,12,14-21H2,1-4H3/b11-7+,13-8+/t22-,23+,24+,25-,26-,27-,29+,30-,31-,32-,33-,37+/m0/s1 | Synonyms: | (1R,9S,12S,15S,16E,20E,23R,24S,27R)-1-Hydroxy-15,23,27-trimethyl-12-{(2R)-1-[(1S,2S,3S,4R)-2,3,4-trihydroxycyclohexyl]-2-propanyl}-11,28-dioxa-4-azatricyclo[22.3.1.0~4,9~]octacosa-16,20-diene-2,3,10,22-tetrone | Definition date: | 2023-11-23 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (1~{R},9~{S},12~{S},15~{R},16~{E},20~{E},23~{R},24~{S},27~{R})-15,23,27-trimethyl-1-oxidanyl-12-[(2~{R})-1-[(1~{S},2~{S},3~{S},4~{R})-2,3,4-tris(oxidanyl)cyclohexyl]propan-2-yl]-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacosa-16,20-diene-2,3,10,22-tetrone |
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![VE6 VE6](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/VE6.svg) | VE6 | Name: | 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid | Formula: | C16 H10 Br N O4 | SMILES: | Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(Br)ccc23 | InChi: | InChI=1S/C16H10BrNO4/c17-9-1-6-14-12(7-9)13(15(20)16(21)22)8-18(14)10-2-4-11(19)5-3-10/h1-8,19H,(H,21,22) | Synonyms: | 2-(5-bromo-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid | Definition date: | 2021-05-28 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid |
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![U5D U5D](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/U5D.svg) | U5D | Name: | 2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one | Formula: | C23 H20 N2 O4 | SMILES: | CC1=Nc2ccc(c(C)c2C(=O)N1c3ccccc3)C(=O)C4=C(O)CCCC4=O | InChi: | InChI=1S/C23H20N2O4/c1-13-16(22(28)21-18(26)9-6-10-19(21)27)11-12-17-20(13)23(29)25(14(2)24-17)15-7-4-3-5-8-15/h3-5,7-8,11-12,26H,6,9-10H2,1-2H3 | Definition date: | 2023-05-17 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one |
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![VEO VEO](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/VEO.svg) | VEO | Name: | 5-methoxy-1H-indole-2-carboxylic acid | Formula: | C10 H9 N O3 | SMILES: | COc1ccc2[nH]c(cc2c1)C(O)=O | InChi: | InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13) | Definition date: | 2023-03-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 5-methoxy-1~{H}-indole-2-carboxylic acid |
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![YR5 YR5](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/YR5.svg) | YR5 | Name: | 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid | Formula: | C15 H16 F N2 O7 P | SMILES: | Oc1c(CNc2cc(cc(F)c2)C(=O)O)c(cnc1C)COP(=O)(O)O | InChi: | InChI=1S/C15H16FN2O7P/c1-8-14(19)13(10(5-17-8)7-25-26(22,23)24)6-18-12-3-9(15(20)21)2-11(16)4-12/h2-5,18-19H,6-7H2,1H3,(H,20,21)(H2,22,23,24) | Definition date: | 2023-12-11 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid |
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![WCW WCW](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/WCW.svg) | WCW | Name: | 4-azanyl-1-phenyl-piperidine-4-carboxylic acid | Formula: | C12 H16 N2 O2 | SMILES: | NC1(CCN(CC1)c2ccccc2)C(O)=O | InChi: | InChI=1S/C12H16N2O2/c13-12(11(15)16)6-8-14(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,15,16) | Definition date: | 2023-05-12 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 4-azanyl-1-phenyl-piperidine-4-carboxylic acid |
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![ZXT ZXT](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/ZXT.svg) | ZXT | Name: | 5-(dimethylsulfamoyl)-~{N}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide | Formula: | C17 H22 N4 O3 S2 | SMILES: | CN(C)[S](=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)Nc3sc(C)cn3 | InChi: | InChI=1S/C17H22N4O3S2/c1-12-11-18-17(25-12)19-16(22)14-10-13(26(23,24)20(2)3)6-7-15(14)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,22) | Definition date: | 2023-07-10 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 5-(dimethylsulfamoyl)-~{N}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide |
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![U7O U7O](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/U7O.svg) | U7O | Name: | 5-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,4-dimethyl-3-propan-2-yl-benzimidazol-2-one | Formula: | C18 H22 N4 O3 | SMILES: | CC(C)N1C(=O)N(C)c2ccc(c(C)c12)C(=O)c3c(C)nn(C)c3O | InChi: | InChI=1S/C18H22N4O3/c1-9(2)22-15-10(3)12(7-8-13(15)20(5)18(22)25)16(23)14-11(4)19-21(6)17(14)24/h7-9,24H,1-6H3 | Definition date: | 2023-05-24 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 5-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,4-dimethyl-3-propan-2-yl-benzimidazol-2-one |
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![TXJ TXJ](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/TXJ.svg) | TXJ | Name: | [(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid | Formula: | C8 H16 N3 O12 P3 | SMILES: | NC1=NC(=O)N(C[CH](CO)OC[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C=C1 | InChi: | InChI=1S/C8H16N3O12P3/c9-7-1-2-11(8(13)10-7)3-6(4-12)21-5-24(14,15)22-26(19,20)23-25(16,17)18/h1-2,6,12H,3-5H2,(H,14,15)(H,19,20)(H2,9,10,13)(H2,16,17,18)/t6-/m0/s1 | Definition date: | 2023-05-10 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | [(2~{S})-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid |
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![V5H V5H](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/V5H.svg) | V5H | Name: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate | Formula: | C45 H85 Br4 O19 P3 | SMILES: | OP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)OCC(COC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)C(O)C1OP(=O)(O)O | InChi: | InChI=1S/C45H85Br4O19P3/c1-3-5-7-9-13-19-25-34(46)36(48)27-21-15-11-17-23-29-38(50)63-31-33(65-39(51)30-24-18-12-16-22-28-37(49)35(47)26-20-14-10-8-6-4-2)32-64-71(61,62)68-43-40(52)41(53)44(66-69(55,56)57)45(42(43)54)67-70(58,59)60/h33-37,40-45,52-54H,3-32H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/t33-,34-,35?,36+,37?,40+,41-,42-,43+,44+,45+/m0/s1 | Definition date: | 2023-09-08 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate |
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![WNO WNO](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/WNO.svg) | WNO | Name: | 2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine | Formula: | C15 H18 N4 | SMILES: | CCN1CCN[CH]1c2cccc(n2)c3ccccn3 | InChi: | InChI=1S/C15H18N4/c1-2-19-11-10-17-15(19)14-8-5-7-13(18-14)12-6-3-4-9-16-12/h3-9,15,17H,2,10-11H2,1H3/t15-/m1/s1 | Definition date: | 2023-10-09 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine |
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![W4X W4X](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/W4X.svg) | W4X | Name: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid | Formula: | C22 H15 N O5 | SMILES: | OC(=O)C(=O)c1cn(c2ccc(O)c(O)c2)c3ccc(cc13)c4ccccc4 | InChi: | InChI=1S/C22H15NO5/c24-19-9-7-15(11-20(19)25)23-12-17(21(26)22(27)28)16-10-14(6-8-18(16)23)13-4-2-1-3-5-13/h1-12,24-25H,(H,27,28) | Definition date: | 2023-04-28 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid |
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![W52 W52](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/W52.svg) | W52 | Name: | 2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid | Formula: | C22 H15 N O4 | SMILES: | Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(ccc23)c4ccccc4 | InChi: | InChI=1S/C22H15NO4/c24-17-9-7-16(8-10-17)23-13-19(21(25)22(26)27)18-12-15(6-11-20(18)23)14-4-2-1-3-5-14/h1-13,24H,(H,26,27) | Definition date: | 2023-04-28 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid |
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![W5E W5E](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/W5E.svg) | W5E | Name: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid | Formula: | C22 H15 N O6 | SMILES: | Oc1cccc(c1)c2ccc3n(cc(C(=O)C(O)=O)c3c2)c4ccc(O)c(O)c4 | InChi: | InChI=1S/C22H15NO6/c24-15-3-1-2-12(8-15)13-4-6-18-16(9-13)17(21(27)22(28)29)11-23(18)14-5-7-19(25)20(26)10-14/h1-11,24-26H,(H,28,29) | Definition date: | 2023-04-28 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid |
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![VPN VPN](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/VPN.svg) | VPN | Name: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate | Formula: | C45 H83 Br4 O13 P | SMILES: | OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC | InChi: | InChI=1S/C45H83Br4O13P/c1-3-5-7-9-13-19-25-34(46)36(48)27-21-15-11-17-23-29-38(50)59-31-33(32-60-63(57,58)62-45-43(55)41(53)40(52)42(54)44(45)56)61-39(51)30-24-18-12-16-22-28-37(49)35(47)26-20-14-10-8-6-4-2/h33-37,40-45,52-56H,3-32H2,1-2H3,(H,57,58)/t33-,34-,35?,36+,37?,40-,41-,42+,43+,44+,45-/m0/s1 | Definition date: | 2023-09-15 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate |
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![F3L F3L](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/F3L.svg) | F3L | Name: | 4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile | Formula: | C17 H16 Cl F N4 O4 S | SMILES: | NC[C]1(O)CN(C[CH]1Oc2ccc(C#N)c(F)c2)[S](=O)(=O)c3ccc(Cl)cn3 | InChi: | InChI=1S/C17H16ClFN4O4S/c18-12-2-4-16(22-7-12)28(25,26)23-8-15(17(24,9-21)10-23)27-13-3-1-11(6-20)14(19)5-13/h1-5,7,15,24H,8-10,21H2/t15-,17-/m0/s1 | Synonyms: | 4-[(3S,4S)-4-(aminomethyl)-1-(5-chloropyridin-2-yl)sulfonyl-4-hydroxypyrrolidin-3-yl]oxy-2-fluorobenzonitrile | Definition date: | 2023-06-27 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile |
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![Y2W Y2W](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/Y2W.svg) | Y2W | Name: | [(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid | Formula: | C7 H15 N O6 S | SMILES: | N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1C[S](O)(=O)=O | InChi: | InChI=1S/C7H15NO6S/c8-4-1-5(9)7(11)6(10)3(4)2-15(12,13)14/h3-7,9-11H,1-2,8H2,(H,12,13,14)/t3-,4+,5-,6+,7+/m0/s1 | Definition date: | 2023-11-16 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | [(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid |
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![ZP2 ZP2](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/ZP2.svg) | ZP2 | Name: | (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone | Formula: | C14 H10 F N O6 | SMILES: | COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2cc(O)cc(F)c2 | InChi: | InChI=1S/C14H10FNO6/c1-22-12-5-8(4-11(14(12)19)16(20)21)13(18)7-2-9(15)6-10(17)3-7/h2-6,17,19H,1H3 | Synonyms: | Pharmacokinetically Improved TTR Binder (PITB) | Definition date: | 2023-06-29 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone |
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![F8O F8O](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/F8O.svg) | F8O | Name: | (2~{R},4~{R})-2,4-dimethyloctanal | Formula: | C10 H20 O | SMILES: | CCCC[CH](C)C[CH](C)C=O | InChi: | InChI=1S/C10H20O/c1-4-5-6-9(2)7-10(3)8-11/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1 | Definition date: | 2023-07-19 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2~{R},4~{R})-2,4-dimethyloctanal |
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![F9M F9M](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/F9M.svg) | F9M | Name: | [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | Formula: | C25 H23 F3 N8 O S2 | SMILES: | Cc1sc(c(C)n1)c2csc(Nc3ccc(cn3)C(=O)N4[CH]5CC[CH]4CN(C5)c6ncc(cn6)C(F)(F)F)n2 | InChi: | InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)/t17-,18+ | Definition date: | 2023-07-04 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone |
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![FDO FDO](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/FDO.svg) | FDO | Name: | (2~{R})-4-methyl-2-(methylamino)pentanamide | Formula: | C7 H16 N2 O | SMILES: | CN[CH](CC(C)C)C(N)=O | InChi: | InChI=1S/C7H16N2O/c1-5(2)4-6(9-3)7(8)10/h5-6,9H,4H2,1-3H3,(H2,8,10)/t6-/m1/s1 | Definition date: | 2023-07-19 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2~{R})-4-methyl-2-(methylamino)pentanamide |
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![FH6 FH6](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/FH6.svg) | FH6 | Name: | (2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal | Formula: | C8 H14 N2 O2 S | SMILES: | C[CH]1NC(=O)C[CH]1SC[CH](N)C=O | InChi: | InChI=1S/C8H14N2O2S/c1-5-7(2-8(12)10-5)13-4-6(9)3-11/h3,5-7H,2,4,9H2,1H3,(H,10,12)/t5-,6+,7+/m0/s1 | Definition date: | 2023-07-19 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal |
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![HWF HWF](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/HWF.svg) | HWF | Name: | (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid | Formula: | C13 H17 N O2 | SMILES: | O=C(O)C(Cc1ccccc1)C1CCNC1 | InChi: | InChI=1S/C13H17NO2/c15-13(16)12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1 | Synonyms: | LY3353871 | Definition date: | 2023-07-22 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid |
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![IJM IJM](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/IJM.svg) | IJM | Name: | (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid | Formula: | C14 H8 F3 N5 O4 | SMILES: | O=C(O)C=1NC(=CC(=O)C=1O)c1ccc(cc1C(F)(F)F)c1nnn[NH]1 | InChi: | InChI=1S/C14H8F3N5O4/c15-14(16,17)7-3-5(12-19-21-22-20-12)1-2-6(7)8-4-9(23)11(24)10(18-8)13(25)26/h1-4,24H,(H,18,23)(H,25,26)(H,19,20,21,22) | Definition date: | 2023-08-01 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid |
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