![HVW HVW](https://data.pdbj.org/pdbjplus/data/cc/svg/HVW.svg) | HVW | Name: | (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide | Formula: | C24 H29 F3 N2 O3 S | SMILES: | CC(C)C[CH](N[CH](c1ccc(cc1)c2ccc(cc2)[S](C)(=O)=O)C(F)(F)F)C(=O)NCC=C | InChi: | InChI=1S/C24H29F3N2O3S/c1-5-14-28-23(30)21(15-16(2)3)29-22(24(25,26)27)19-8-6-17(7-9-19)18-10-12-20(13-11-18)33(4,31)32/h5-13,16,21-22,29H,1,14-15H2,2-4H3,(H,28,30)/t21-,22-/m0/s1 | Definition date: | 2018-12-21 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide |
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![99L 99L](https://data.pdbj.org/pdbjplus/data/cc/svg/99L.svg) | 99L | Name: | 1-ethyl-6-[(3R)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one | Formula: | C18 H20 N2 O4 S | SMILES: | CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH](O)C4 | InChi: | InChI=1S/C18H20N2O4S/c1-2-20-15-8-9-16(13-6-3-7-14(17(13)15)18(20)22)25(23,24)19-10-4-5-12(21)11-19/h3,6-9,12,21H,2,4-5,10-11H2,1H3/t12-/m1/s1 | Definition date: | 2018-02-07 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | 1-ethyl-6-[(3~{R})-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one |
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![99O 99O](https://data.pdbj.org/pdbjplus/data/cc/svg/99O.svg) | 99O | Name: | 1-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one | Formula: | C18 H20 N2 O4 S | SMILES: | CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH](O)C4 | InChi: | InChI=1S/C18H20N2O4S/c1-2-20-15-8-9-16(13-6-3-7-14(17(13)15)18(20)22)25(23,24)19-10-4-5-12(21)11-19/h3,6-9,12,21H,2,4-5,10-11H2,1H3/t12-/m0/s1 | Definition date: | 2018-02-07 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | 1-ethyl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one |
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![99R 99R](https://data.pdbj.org/pdbjplus/data/cc/svg/99R.svg) | 99R | Name: | 6-[(3S)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one | Formula: | C18 H21 N3 O3 S | SMILES: | CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH](N)C4 | InChi: | InChI=1S/C18H21N3O3S/c1-2-21-15-8-9-16(13-6-3-7-14(17(13)15)18(21)22)25(23,24)20-10-4-5-12(19)11-20/h3,6-9,12H,2,4-5,10-11,19H2,1H3/t12-/m0/s1 | Definition date: | 2018-02-07 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | 6-[(3~{S})-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one |
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![99U 99U](https://data.pdbj.org/pdbjplus/data/cc/svg/99U.svg) | 99U | Name: | 1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one | Formula: | C17 H18 N2 O3 S | SMILES: | CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCCC4 | InChi: | InChI=1S/C17H18N2O3S/c1-2-19-14-8-9-15(23(21,22)18-10-3-4-11-18)12-6-5-7-13(16(12)14)17(19)20/h5-9H,2-4,10-11H2,1H3 | Definition date: | 2018-02-07 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | 1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one |
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![99X 99X](https://data.pdbj.org/pdbjplus/data/cc/svg/99X.svg) | 99X | Name: | 1-ethyl-6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one | Formula: | C18 H20 N2 O4 S | SMILES: | CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH]4CO | InChi: | InChI=1S/C18H20N2O4S/c1-2-19-15-8-9-16(13-6-3-7-14(17(13)15)18(19)22)25(23,24)20-10-4-5-12(20)11-21/h3,6-9,12,21H,2,4-5,10-11H2,1H3/t12-/m1/s1 | Definition date: | 2018-02-07 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | 1-ethyl-6-[(2~{R})-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one |
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![AWT AWT](https://data.pdbj.org/pdbjplus/data/cc/svg/AWT.svg) | AWT | Name: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(1~{H}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine | Formula: | C22 H23 N5 O2 | SMILES: | COc1cc2nc(C)nc(N[CH](C)c3cccc(c3)c4c[nH]nc4)c2cc1OC | InChi: | InChI=1S/C22H23N5O2/c1-13(15-6-5-7-16(8-15)17-11-23-24-12-17)25-22-18-9-20(28-3)21(29-4)10-19(18)26-14(2)27-22/h5-13H,1-4H3,(H,23,24)(H,25,26,27)/t13-/m1/s1 | Definition date: | 2017-08-29 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(1~{H}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine |
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![AWW AWW](https://data.pdbj.org/pdbjplus/data/cc/svg/AWW.svg) | AWW | Name: | [2-[5-[(1~{R})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol | Formula: | C24 H27 N3 O3 S | SMILES: | COC1=C(Cc2c(C1)nc(C)nc2N[CH](C)c3sc(cc3)c4ccccc4CO)OC | InChi: | InChI=1S/C24H27N3O3S/c1-14(22-9-10-23(31-22)17-8-6-5-7-16(17)13-28)25-24-18-11-20(29-3)21(30-4)12-19(18)26-15(2)27-24/h5-10,14,28H,11-13H2,1-4H3,(H,25,26,27)/t14-/m1/s1 | Definition date: | 2017-08-29 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | [2-[5-[(1~{R})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol |
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![AWZ AWZ](https://data.pdbj.org/pdbjplus/data/cc/svg/AWZ.svg) | AWZ | Name: | ~{N}-[(1~{R})-1-[5-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine | Formula: | C23 H25 N5 O2 S | SMILES: | COc1cc2nc(C)nc(N[CH](C)c3sc(cc3)c4cnc5CCCn45)c2cc1OC | InChi: | InChI=1S/C23H25N5O2S/c1-13(20-7-8-21(31-20)17-12-24-22-6-5-9-28(17)22)25-23-15-10-18(29-3)19(30-4)11-16(15)26-14(2)27-23/h7-8,10-13H,5-6,9H2,1-4H3,(H,25,26,27)/t13-/m1/s1 | Definition date: | 2017-08-29 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | ~{N}-[(1~{R})-1-[5-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine |
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![AXE AXE](https://data.pdbj.org/pdbjplus/data/cc/svg/AXE.svg) | AXE | Name: | 6,7-dimethoxy-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]quinazolin-4-amine | Formula: | C22 H21 N3 O2 | SMILES: | COc1cc2ncnc(N[CH](C)c3cccc4ccccc34)c2cc1OC | InChi: | InChI=1S/C22H21N3O2/c1-14(16-10-6-8-15-7-4-5-9-17(15)16)25-22-18-11-20(26-2)21(27-3)12-19(18)23-13-24-22/h4-14H,1-3H3,(H,23,24,25)/t14-/m1/s1 | Definition date: | 2017-08-29 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | 6,7-dimethoxy-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]quinazolin-4-amine |
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![AXH AXH](https://data.pdbj.org/pdbjplus/data/cc/svg/AXH.svg) | AXH | Name: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine | Formula: | C25 H28 N4 O2 S | SMILES: | CNCc1ccccc1c2csc(c2)[CH](C)Nc3nc(C)nc4cc(OC)c(OC)cc34 | InChi: | InChI=1S/C25H28N4O2S/c1-15(24-10-18(14-32-24)19-9-7-6-8-17(19)13-26-3)27-25-20-11-22(30-4)23(31-5)12-21(20)28-16(2)29-25/h6-12,14-15,26H,13H2,1-5H3,(H,27,28,29)/t15-/m1/s1 | Definition date: | 2017-08-29 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine |
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![BOQ BOQ](https://data.pdbj.org/pdbjplus/data/cc/svg/BOQ.svg) | BOQ | Name: | ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate | Formula: | C12 H19 N O3 | SMILES: | CCOC(=O)c1cc(oc1CN)C(C)(C)C | InChi: | InChI=1S/C12H19NO3/c1-5-15-11(14)8-6-10(12(2,3)4)16-9(8)7-13/h6H,5,7,13H2,1-4H3 | Definition date: | 2017-10-12 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate |
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![BQ2 BQ2](https://data.pdbj.org/pdbjplus/data/cc/svg/BQ2.svg) | BQ2 | Name: | 1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone | Formula: | C11 H13 N O2 | SMILES: | OCC(=O)N1CCc2ccccc2C1 | InChi: | InChI=1S/C11H13NO2/c13-8-11(14)12-6-5-9-3-1-2-4-10(9)7-12/h1-4,13H,5-8H2 | Definition date: | 2017-10-12 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | 1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone |
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![H8B H8B](https://data.pdbj.org/pdbjplus/data/cc/svg/H8B.svg) | H8B | Name: | 7-[[2-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine | Formula: | C18 H19 N3 O | SMILES: | CNCc1ccccc1OCc2ccc3ccc(N)nc3c2 | InChi: | InChI=1S/C18H19N3O/c1-20-11-15-4-2-3-5-17(15)22-12-13-6-7-14-8-9-18(19)21-16(14)10-13/h2-10,20H,11-12H2,1H3,(H2,19,21) | Definition date: | 2019-01-26 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | 7-[[2-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine |
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![BXN BXN](https://data.pdbj.org/pdbjplus/data/cc/svg/BXN.svg) | BXN | Name: | 4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide | Formula: | C23 H33 Cl2 N5 O2 S | SMILES: | Cn1nc(C)c(N(C)[S](=O)(=O)c2c(Cl)cc(CCCN3CCN4CCC[CH]4C3)cc2Cl)c1C | InChi: | InChI=1S/C23H33Cl2N5O2S/c1-16-22(17(2)27(3)26-16)28(4)33(31,32)23-20(24)13-18(14-21(23)25)7-5-9-29-11-12-30-10-6-8-19(30)15-29/h13-14,19H,5-12,15H2,1-4H3/t19-/m1/s1 | Definition date: | 2017-10-28 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | 4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide |
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![J3W J3W](https://data.pdbj.org/pdbjplus/data/cc/svg/J3W.svg) | J3W | Name: | methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[3-[(3~{R},6~{S},10~{Z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate | Formula: | C40 H53 N5 O6 S | SMILES: | COC(=O)N[CH](C(=O)NN(CCC[C]1(O)Cc2ccc(CC=CCNC(=O)[CH](NC1=O)C(C)C)cc2)Cc3ccc(cc3)c4sccc4)C(C)(C)C | InChi: | InChI=1S/C40H53N5O6S/c1-27(2)33-35(46)41-22-8-7-11-28-13-15-29(16-14-28)25-40(50,37(48)42-33)21-10-23-45(44-36(47)34(39(3,4)5)43-38(49)51-6)26-30-17-19-31(20-18-30)32-12-9-24-52-32/h7-9,12-20,24,27,33-34,50H,10-11,21-23,25-26H2,1-6H3,(H,41,46)(H,42,48)(H,43,49)(H,44,47)/b8-7-/t33-,34+,40+/m0/s1 | Definition date: | 2019-01-21 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[3-[(3~{R},6~{S},10~{Z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate |
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![J81 J81](https://data.pdbj.org/pdbjplus/data/cc/svg/J81.svg) | J81 | Name: | (5R,6S,7S)-5,6-dihydroxy-N-nonyl-7-(octanoylamino)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name) | Formula: | C31 H60 N2 O10 | SMILES: | CCCCCCCCCNC(CCCC(C(C(NC(CCCCCCC)=O)COC1C(C(C(C(O1)CO)O)O)O)O)O)=O | InChi: | InChI=1S/C31H60N2O10/c1-3-5-7-9-10-12-14-19-32-25(36)18-15-16-23(35)27(38)22(33-26(37)17-13-11-8-6-4-2)21-42-31-30(41)29(40)28(39)24(20-34)43-31/h22-24,27-31,34-35,38-41H,3-21H2,1-2H3,(H,32,36)(H,33,37)/t22-,23+,24+,27-,28-,29-,30+,31-/m0/s1 | Definition date: | 2018-01-17 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | (5R,6S,7S)-5,6-dihydroxy-N-nonyl-7-(octanoylamino)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name) |
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![GKB GKB](https://data.pdbj.org/pdbjplus/data/cc/svg/GKB.svg) | GKB | Name: | (2~{R})-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{H}-indene-5-carboxamide | Formula: | C25 H21 F3 N6 O | SMILES: | Cc1cn(cn1)c2cc(NC(=O)c3ccc4C[CH](Cc4c3)Nc5cncnc5)cc(c2)C(F)(F)F | InChi: | InChI=1S/C25H21F3N6O/c1-15-12-34(14-31-15)23-8-19(25(26,27)28)7-21(9-23)33-24(35)17-3-2-16-5-20(6-18(16)4-17)32-22-10-29-13-30-11-22/h2-4,7-14,20,32H,5-6H2,1H3,(H,33,35)/t20-/m1/s1 | Definition date: | 2018-09-19 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | (2~{R})-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{H}-indene-5-carboxamide |
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![GKS GKS](https://data.pdbj.org/pdbjplus/data/cc/svg/GKS.svg) | GKS | Name: | 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol | Formula: | C11 H19 N4 O14 P3 | SMILES: | P(=O)(O)(O)OP(OP(=O)(O)OCC1OC(CC1O)CC2=C(C(NC(=N2)N)=O)NC=O)(O)=O | InChi: | InChI=1S/C11H19N4O14P3/c12-11-14-6(9(13-4-16)10(18)15-11)1-5-2-7(17)8(27-5)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h4-5,7-8,17H,1-3H2,(H,13,16)(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18)/t5-,7-,8+/m0/s1 | Definition date: | 2018-05-25 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol |
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![GQH GQH](https://data.pdbj.org/pdbjplus/data/cc/svg/GQH.svg) | GQH | Name: | (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide | Formula: | C30 H43 N7 O5 S | SMILES: | CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)N=[N+]=[N-])C(=O)N[CH](C)C(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc(CN)cc2 | InChi: | InChI=1S/C30H43N7O5S/c1-20(2)16-26(35-30(40)27(36-37-32)18-22-8-6-5-7-9-22)29(39)33-21(3)28(38)34-25(14-15-43(4,41)42)17-23-10-12-24(19-31)13-11-23/h5-13,20-21,25-27H,14-19,31H2,1-4H3,(H,33,39)(H,34,38)(H,35,40)/t21-,25+,26-,27-/m0/s1 | Definition date: | 2018-10-03 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide |
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![GQK GQK](https://data.pdbj.org/pdbjplus/data/cc/svg/GQK.svg) | GQK | Name: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide | Formula: | C31 H44 N4 O7 | SMILES: | COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](Cc3ccccc3)[CH](O)C(C)(C)O)cc1 | InChi: | InChI=1S/C31H44N4O7/c1-21(32-27(36)20-35-14-16-42-17-15-35)29(38)34-26(19-23-10-12-24(41-4)13-11-23)30(39)33-25(28(37)31(2,3)40)18-22-8-6-5-7-9-22/h5-13,21,25-26,28,37,40H,14-20H2,1-4H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,28+/m0/s1 | Definition date: | 2018-10-03 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide |
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![GQQ GQQ](https://data.pdbj.org/pdbjplus/data/cc/svg/GQQ.svg) | GQQ | Name: | ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrazine-2-carboxamide | Formula: | C29 H44 N6 O5 S | SMILES: | CC(C)C[CH](NC(=O)[CH](CC(C)C)NC(=O)c1cnccn1)C(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc(CN)cc2 | InChi: | InChI=1S/C29H44N6O5S/c1-19(2)14-24(34-28(37)25(15-20(3)4)35-29(38)26-18-31-11-12-32-26)27(36)33-23(10-13-41(5,39)40)16-21-6-8-22(17-30)9-7-21/h6-9,11-12,18-20,23-25H,10,13-17,30H2,1-5H3,(H,33,36)(H,34,37)(H,35,38)/t23-,24+,25+/m1/s1 | Definition date: | 2018-10-04 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrazine-2-carboxamide |
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![GQT GQT](https://data.pdbj.org/pdbjplus/data/cc/svg/GQT.svg) | GQT | Name: | (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide | Formula: | C30 H43 N7 O6 S | SMILES: | CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)N=[N+]=[N-])C(=O)N[CH](CO)C(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc(CN)cc2 | InChi: | InChI=1S/C30H43N7O6S/c1-20(2)15-25(34-29(40)26(36-37-32)17-21-7-5-4-6-8-21)28(39)35-27(19-38)30(41)33-24(13-14-44(3,42)43)16-22-9-11-23(18-31)12-10-22/h4-12,20,24-27,38H,13-19,31H2,1-3H3,(H,33,41)(H,34,40)(H,35,39)/t24-,25+,26+,27+/m1/s1 | Definition date: | 2018-10-04 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide |
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![GRT GRT](https://data.pdbj.org/pdbjplus/data/cc/svg/GRT.svg) | GRT | Name: | (2~{S})-~{N}-[2-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide | Formula: | C29 H41 N7 O5 S | SMILES: | CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)N=[N+]=[N-])C(=O)NCC(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc(CN)cc2 | InChi: | InChI=1S/C29H41N7O5S/c1-20(2)15-25(34-29(39)26(35-36-31)17-21-7-5-4-6-8-21)28(38)32-19-27(37)33-24(13-14-42(3,40)41)16-22-9-11-23(18-30)12-10-22/h4-12,20,24-26H,13-19,30H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)/t24-,25+,26+/m1/s1 | Definition date: | 2018-10-05 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | (2~{S})-~{N}-[2-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide |
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![GRW GRW](https://data.pdbj.org/pdbjplus/data/cc/svg/GRW.svg) | GRW | Name: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{R})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide | Formula: | C31 H45 N7 O6 S | SMILES: | CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)N=[N+]=[N-])C(=O)N[CH]([CH](C)O)C(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc(CN)cc2 | InChi: | InChI=1S/C31H45N7O6S/c1-20(2)16-26(35-30(41)27(37-38-33)18-22-8-6-5-7-9-22)29(40)36-28(21(3)39)31(42)34-25(14-15-45(4,43)44)17-23-10-12-24(19-32)13-11-23/h5-13,20-21,25-28,39H,14-19,32H2,1-4H3,(H,34,42)(H,35,41)(H,36,40)/t21-,25-,26+,27-,28+/m1/s1 | Definition date: | 2018-10-05 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{R})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide |
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