![A0Z A0Z](https://data.pdbj.org/pdbjplus/data/cc/svg/A0Z.svg) | A0Z | Name: | 8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid | Formula: | C15 H16 I4 N2 O2 | SMILES: | OC(=O)CCCCCCCn1cnc2c(I)c(I)c(I)c(I)c12 | InChi: | InChI=1S/C15H16I4N2O2/c16-10-11(17)13(19)15-14(12(10)18)20-8-21(15)7-5-3-1-2-4-6-9(22)23/h8H,1-7H2,(H,22,23) | Definition date: | 2017-08-09 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | 8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid |
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![9AB 9AB](https://data.pdbj.org/pdbjplus/data/cc/svg/9AB.svg) | 9AB | Name: | 8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid | Formula: | C15 H16 Br4 N2 O2 | SMILES: | OC(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12 | InChi: | InChI=1S/C15H16Br4N2O2/c16-10-11(17)13(19)15-14(12(10)18)20-8-21(15)7-5-3-1-2-4-6-9(22)23/h8H,1-7H2,(H,22,23) | Definition date: | 2017-05-03 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | 8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid |
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![FHQ FHQ](https://data.pdbj.org/pdbjplus/data/cc/svg/FHQ.svg) | FHQ | Name: | ~{N}-[(~{E})-(4-bromophenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide | Formula: | C10 H9 Br N6 O | SMILES: | Brc1ccc(cc1)C=NNC(=O)Cc2n[nH]nn2 | InChi: | InChI=1S/C10H9BrN6O/c11-8-3-1-7(2-4-8)6-12-15-10(18)5-9-13-16-17-14-9/h1-4,6H,5H2,(H,15,18)(H,13,14,16,17)/b12-6+ | Definition date: | 2018-07-10 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | ~{N}-[(~{E})-(4-bromophenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide |
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![FHT FHT](https://data.pdbj.org/pdbjplus/data/cc/svg/FHT.svg) | FHT | Name: | [[(2~{R})-2-[(4-bromophenyl)carbonylamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium | Formula: | C10 H11 Br N7 O2 | SMILES: | [NH3+]NC(=O)[CH](NC(=O)c1ccc(Br)cc1)c2n[nH]nn2 | InChi: | InChI=1S/C10H10BrN7O2/c11-6-3-1-5(2-4-6)9(19)13-7(10(20)14-12)8-15-17-18-16-8/h1-4,7H,12H2,(H,13,19)(H,14,20)(H,15,16,17,18)/p+1/t7-/m1/s1 | Definition date: | 2018-07-10 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | [[(2~{R})-2-[(4-bromophenyl)carbonylamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium |
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![FHW FHW](https://data.pdbj.org/pdbjplus/data/cc/svg/FHW.svg) | FHW | Name: | (2~{R})-3-phenyl-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide | Formula: | C10 H12 N6 O | SMILES: | NNC(=O)[CH](Cc1ccccc1)c2n[nH]nn2 | InChi: | InChI=1S/C10H12N6O/c11-12-10(17)8(9-13-15-16-14-9)6-7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,17)(H,13,14,15,16)/t8-/m1/s1 | Definition date: | 2018-07-10 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | (2~{R})-3-phenyl-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide |
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![FHZ FHZ](https://data.pdbj.org/pdbjplus/data/cc/svg/FHZ.svg) | FHZ | Name: | (2~{R})-3-(4-methoxyphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide | Formula: | C11 H14 N6 O2 | SMILES: | COc1ccc(C[CH](C(=O)NN)c2n[nH]nn2)cc1 | InChi: | InChI=1S/C11H14N6O2/c1-19-8-4-2-7(3-5-8)6-9(11(18)13-12)10-14-16-17-15-10/h2-5,9H,6,12H2,1H3,(H,13,18)(H,14,15,16,17)/t9-/m1/s1 | Definition date: | 2018-07-10 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | (2~{R})-3-(4-methoxyphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide |
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![FJ8 FJ8](https://data.pdbj.org/pdbjplus/data/cc/svg/FJ8.svg) | FJ8 | Name: | ~{N}-[(~{E})-(4-methylphenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide | Formula: | C11 H12 N6 O | SMILES: | Cc1ccc(cc1)C=NNC(=O)Cc2n[nH]nn2 | InChi: | InChI=1S/C11H12N6O/c1-8-2-4-9(5-3-8)7-12-15-11(18)6-10-13-16-17-14-10/h2-5,7H,6H2,1H3,(H,15,18)(H,13,14,16,17)/b12-7+ | Definition date: | 2018-07-10 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | ~{N}-[(~{E})-(4-methylphenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide |
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![FJB FJB](https://data.pdbj.org/pdbjplus/data/cc/svg/FJB.svg) | FJB | Name: | [[(2~{R})-2-(5-phenylpentanoylamino)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium | Formula: | C14 H20 N7 O2 | SMILES: | [NH3+]NC(=O)[CH](NC(=O)CCCCc1ccccc1)c2n[nH]nn2 | InChi: | InChI=1S/C14H19N7O2/c15-17-14(23)12(13-18-20-21-19-13)16-11(22)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9,15H2,(H,16,22)(H,17,23)(H,18,19,20,21)/p+1/t12-/m1/s1 | Definition date: | 2018-07-10 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | [[(2~{R})-2-(5-phenylpentanoylamino)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium |
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![HY5 HY5](https://data.pdbj.org/pdbjplus/data/cc/svg/HY5.svg) | HY5 | Name: | FC-NCPC | Formula: | C36 H57 N O10 | SMILES: | COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](COC(C)(C)C=C)[CH](O)[CH](O)[CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C)CNC(=O)C5CC5 | InChi: | InChI=1S/C36H57NO10/c1-8-35(4,5)45-17-25-29(40)30(41)31(42)34(46-25)47-32-27-23(18(2)15-37-33(43)20-9-10-20)13-26(38)36(27,6)14-24-21(16-44-7)11-12-22(24)19(3)28(32)39/h8,14,18-22,25-26,28-32,34,38-42H,1,9-13,15-17H2,2-7H3,(H,37,43)/b24-14-/t18-,19-,21-,22+,25-,26+,28-,29-,30+,31-,32-,34-,36+/m1/s1 | Definition date: | 2019-01-02 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | ~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]cyclopropanecarboxamide |
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![HYK HYK](https://data.pdbj.org/pdbjplus/data/cc/svg/HYK.svg) | HYK | Name: | 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{S})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea | Formula: | C34 H39 N7 O2 | SMILES: | CC(C)c1nnc2ccc(O[CH]3CC[CH](NC(=O)Nc4cc(nn4c5ccc(C)cc5)C(C)(C)C)c6ccccc36)cn12 | InChi: | InChI=1S/C34H39N7O2/c1-21(2)32-38-37-30-18-15-24(20-40(30)32)43-28-17-16-27(25-9-7-8-10-26(25)28)35-33(42)36-31-19-29(34(4,5)6)39-41(31)23-13-11-22(3)12-14-23/h7-15,18-21,27-28H,16-17H2,1-6H3,(H2,35,36,42)/t27-,28-/m0/s1 | Definition date: | 2019-01-04 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{S})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea |
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![HYW HYW](https://data.pdbj.org/pdbjplus/data/cc/svg/HYW.svg) | HYW | Name: | 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{R})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea | Formula: | C34 H39 N7 O2 | SMILES: | CC(C)c1nnc2ccc(O[CH]3CC[CH](NC(=O)Nc4cc(nn4c5ccc(C)cc5)C(C)(C)C)c6ccccc36)cn12 | InChi: | InChI=1S/C34H39N7O2/c1-21(2)32-38-37-30-18-15-24(20-40(30)32)43-28-17-16-27(25-9-7-8-10-26(25)28)35-33(42)36-31-19-29(34(4,5)6)39-41(31)23-13-11-22(3)12-14-23/h7-15,18-21,27-28H,16-17H2,1-6H3,(H2,35,36,42)/t27-,28+/m0/s1 | Definition date: | 2019-01-04 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{R})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea |
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![N72 N72](https://data.pdbj.org/pdbjplus/data/cc/svg/N72.svg) | N72 | Name: | (2~{R})-2-[[(3~{R},4~{R},5~{S})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid | Formula: | C11 H19 N O9 | SMILES: | OC[CH](O)[CH](O)[CH](O)C(=O)CN[CH](CCC(O)=O)C(O)=O | InChi: | InChI=1S/C11H19NO9/c13-4-7(15)10(19)9(18)6(14)3-12-5(11(20)21)1-2-8(16)17/h5,7,9-10,12-13,15,18-19H,1-4H2,(H,16,17)(H,20,21)/t5-,7+,9+,10-/m1/s1 | Definition date: | 2019-11-14 | Last modified: | 2020-01-17 | Release date: | 2020-01-22 | Identifier: | (2~{R})-2-[[(3~{R},4~{R},5~{S})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid |
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![N7T N7T](https://data.pdbj.org/pdbjplus/data/cc/svg/N7T.svg) | N7T | Name: | (2~{S})-2-[[(3~{S},4~{R},5~{R})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid | Formula: | C11 H19 N O9 | SMILES: | OC[CH](O)[CH](O)[CH](O)C(=O)CN[CH](CCC(O)=O)C(O)=O | InChi: | InChI=1S/C11H19NO9/c13-4-7(15)10(19)9(18)6(14)3-12-5(11(20)21)1-2-8(16)17/h5,7,9-10,12-13,15,18-19H,1-4H2,(H,16,17)(H,20,21)/t5-,7+,9+,10+/m0/s1 | Definition date: | 2019-11-14 | Last modified: | 2020-01-17 | Release date: | 2020-01-22 | Identifier: | (2~{S})-2-[[(3~{S},4~{R},5~{R})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid |
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![KXG KXG](https://data.pdbj.org/pdbjplus/data/cc/svg/KXG.svg) | KXG | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-sulfanyl-oxolan-2-yl]methyl hydrogen phosphate | Formula: | C15 H23 N5 O13 P2 S | SMILES: | C2(C(C(C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)S)O)O)O2)O)O)n4c3c(c(ncn3)N)nc4 | InChi: | InChI=1S/C15H23N5O13P2S/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(36)32-6/h3-6,8-11,14-15,21-24,36H,1-2H2,(H,25,26)(H,27,28)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 | Definition date: | 2019-01-23 | Last modified: | 2020-01-17 | Release date: | 2020-01-22 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-sulfanyltetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![KXJ KXJ](https://data.pdbj.org/pdbjplus/data/cc/svg/KXJ.svg) | KXJ | Name: | N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide | Formula: | C31 H53 N3 O4 S | SMILES: | C(Nc1ccccc1)(=O)C(CCCCNC(CCCCCCCCCCCCC)=S)NC(=O)CCOCCO | InChi: | InChI=1S/C31H53N3O4S/c1-2-3-4-5-6-7-8-9-10-11-15-21-30(39)32-23-17-16-20-28(34-29(36)22-25-38-26-24-35)31(37)33-27-18-13-12-14-19-27/h12-14,18-19,28,35H,2-11,15-17,20-26H2,1H3,(H,32,39)(H,33,37)(H,34,36)/t28-/m0/s1 | Definition date: | 2019-01-23 | Last modified: | 2020-01-17 | Release date: | 2020-01-22 | Identifier: | N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide |
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![M2K M2K](https://data.pdbj.org/pdbjplus/data/cc/svg/M2K.svg) | M2K | Name: | 4,5,6,7-tetrahydro-2~{H}-indazole-3-carboxylic acid | Formula: | C8 H10 N2 O2 | SMILES: | OC(=O)c1[nH]nc2CCCCc12 | InChi: | InChI=1S/C8H10N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12) | Definition date: | 2019-10-02 | Last modified: | 2020-01-17 | Release date: | 2020-01-22 | Identifier: | 4,5,6,7-tetrahydro-2~{H}-indazole-3-carboxylic acid |
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![PKG PKG](https://data.pdbj.org/pdbjplus/data/cc/svg/PKG.svg) | PKG | Name: | (3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid | Formula: | C28 H28 N4 O3 | SMILES: | c12CCN(Cc1cc(cc2)C(c4c(C)c3nnn(c3cc4)CC)CC(O)=O)C(=O)c5ccccc5 | InChi: | InChI=1S/C28H28N4O3/c1-3-32-25-12-11-23(18(2)27(25)29-30-32)24(16-26(33)34)21-10-9-19-13-14-31(17-22(19)15-21)28(35)20-7-5-4-6-8-20/h4-12,15,24H,3,13-14,16-17H2,1-2H3,(H,33,34)/t24-/m0/s1 | Definition date: | 2019-08-12 | Last modified: | 2020-01-10 | Release date: | 2020-01-15 | Identifier: | (3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid |
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![08A 08A](https://data.pdbj.org/pdbjplus/data/cc/svg/08A.svg) | 08A | Name: | (3S)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid | Formula: | C29 H30 N4 O3 | SMILES: | n5c4c(C)c(C(CC(O)=O)c2cc1CN(CCc1c(c2)C)C(=O)c3ccccc3)ccc4n(CC)n5 | InChi: | InChI=1S/C29H30N4O3/c1-4-33-26-11-10-24(19(3)28(26)30-31-33)25(16-27(34)35)21-14-18(2)23-12-13-32(17-22(23)15-21)29(36)20-8-6-5-7-9-20/h5-11,14-15,25H,4,12-13,16-17H2,1-3H3,(H,34,35)/t25-/m0/s1 | Definition date: | 2019-08-12 | Last modified: | 2020-01-10 | Release date: | 2020-01-15 | Identifier: | (3S)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid |
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![N2V N2V](https://data.pdbj.org/pdbjplus/data/cc/svg/N2V.svg) | N2V | Name: | N-{(3S,8S)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1S)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-L-phenylalanine | Formula: | C50 H47 Cl2 N3 O6 | SMILES: | c2(ccc(OCc1cc(Cl)c(cc1)Cl)cc2)C7Oc6cc5CN(C(C(=O)NC(C(=O)O)Cc4ccc(c3c(c(C)ncc3)C)cc4)Cc5cc6OC7)C(c8ccccc8)CC | InChi: | InChI=1S/C50H47Cl2N3O6/c1-4-44(35-8-6-5-7-9-35)55-27-38-26-47-46(60-29-48(61-47)36-15-17-39(18-16-36)59-28-33-12-19-41(51)42(52)22-33)25-37(38)24-45(55)49(56)54-43(50(57)58)23-32-10-13-34(14-11-32)40-20-21-53-31(3)30(40)2/h5-22,25-26,43-45,48H,4,23-24,27-29H2,1-3H3,(H,54,56)(H,57,58)/t43-,44-,45-,48+/m0/s1 | Definition date: | 2019-05-01 | Last modified: | 2020-01-03 | Release date: | 2020-01-08 | Identifier: | N-{(3S,8S)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1S)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-L-phenylalanine |
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![M9N M9N](https://data.pdbj.org/pdbjplus/data/cc/svg/M9N.svg) | M9N | Name: | 2-[[(4~{S})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid | Formula: | C9 H11 Cl N2 O2 S2 | SMILES: | Cc1sc2NCN[CH](SCC(O)=O)c2c1Cl | InChi: | InChI=1S/C9H11ClN2O2S2/c1-4-7(10)6-8(15-2-5(13)14)11-3-12-9(6)16-4/h8,11-12H,2-3H2,1H3,(H,13,14)/t8-/m0/s1 | Definition date: | 2019-10-09 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | 2-[[(4~{S})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid |
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![XJ2 XJ2](https://data.pdbj.org/pdbjplus/data/cc/svg/XJ2.svg) | XJ2 | Name: | (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol | Formula: | C14 H22 N2 O | SMILES: | CNC[CH](O)CN1CCCc2ccccc2C1 | InChi: | InChI=1S/C14H22N2O/c1-15-9-14(17)11-16-8-4-7-12-5-2-3-6-13(12)10-16/h2-3,5-6,14-15,17H,4,7-11H2,1H3/t14-/m1/s1 | Definition date: | 2019-01-10 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | (2~{R})-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol |
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![QEV QEV](https://data.pdbj.org/pdbjplus/data/cc/svg/QEV.svg) | QEV | Name: | methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | Formula: | C31 H30 Cl F N6 O4 | SMILES: | C2(C(CCCC(c3cc(c1c(cc(cc1)NC(OC)=O)N2)ccn3)NC(=O)c5c(n(c4c(c(Cl)ccc4)F)cn5)C)C)=O | InChi: | InChI=1S/C31H30ClFN6O4/c1-17-6-4-8-23(37-30(41)28-18(2)39(16-35-28)26-9-5-7-22(32)27(26)33)25-14-19(12-13-34-25)21-11-10-20(36-31(42)43-3)15-24(21)38-29(17)40/h5,7,9-17,23H,4,6,8H2,1-3H3,(H,36,42)(H,37,41)(H,38,40)/t17-,23+/m1/s1 | Definition date: | 2019-10-18 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate |
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![QEY QEY](https://data.pdbj.org/pdbjplus/data/cc/svg/QEY.svg) | QEY | Name: | methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | Formula: | C30 H29 Cl F N7 O4 | SMILES: | C2(C(CCCC(c3cc(c1c(cc(cc1)NC(OC)=O)N2)ccn3)NC(=O)c5c(n(c4c(c(Cl)ccc4)F)nc5)N)C)=O | InChi: | InChI=1S/C30H29ClFN7O4/c1-16-5-3-7-22(37-29(41)20-15-35-39(27(20)33)25-8-4-6-21(31)26(25)32)24-13-17(11-12-34-24)19-10-9-18(36-30(42)43-2)14-23(19)38-28(16)40/h4,6,8-16,22H,3,5,7,33H2,1-2H3,(H,36,42)(H,37,41)(H,38,40)/t16-,22+/m1/s1 | Definition date: | 2019-10-18 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate |
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![M0S M0S](https://data.pdbj.org/pdbjplus/data/cc/svg/M0S.svg) | M0S | Name: | 1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one | Formula: | C13 H19 N5 O S2 | SMILES: | c12C(N(C(=O)N(C)c1nc(n2)SCCN3CCCC3)C)=S | InChi: | InChI=1S/C13H19N5OS2/c1-16-10-9(11(20)17(2)13(16)19)14-12(15-10)21-8-7-18-5-3-4-6-18/h3-8H2,1-2H3,(H,14,15) | Definition date: | 2019-03-18 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | 1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one |
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![M1D M1D](https://data.pdbj.org/pdbjplus/data/cc/svg/M1D.svg) | M1D | Name: | 4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid | Formula: | C11 H14 N4 O4 | SMILES: | O=C1N(C(=O)c2c(N1C)ncn2CCCC(O)=O)C | InChi: | InChI=1S/C11H14N4O4/c1-13-9-8(10(18)14(2)11(13)19)15(6-12-9)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17) | Definition date: | 2019-03-18 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | 4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid |
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