![KGJ KGJ](https://data.pdbj.org/pdbjplus/data/cc/svg/KGJ.svg) | KGJ | Name: | [1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium | Formula: | C24 H39 N9 O19 P3 | SMILES: | n1c(c2c(nc1)n(cn2)C3OC(C(C3O)OP(=O)(O)O)COP(OP(OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)/C(C)=[N+]([O-])[O-])(O)=O)(O)=O)N | InChi: | InChI=1S/C24H39N9O19P3/c1-12(33(39)40)21(37)28-7-6-26-14(34)4-5-27-22(38)18(36)24(2,3)9-49-55(46,47)52-54(44,45)48-8-13-17(51-53(41,42)43)16(35)23(50-13)32-11-31-15-19(25)29-10-30-20(15)32/h10-11,13,16-18,23,35-36H,4-9H2,1-3H3,(H9-,25,26,27,28,29,30,34,37,38,39,40,41,42,43,44,45,46,47)/q-1/t13-,16-,17-,18+,23-/m1/s1 | Definition date: | 2018-12-03 | Last modified: | 2019-04-05 | Release date: | 2019-04-10 | Identifier: | [(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-20-(dioxido-lambda~5~-azanylidene)-3,5,9-trihydroxy-8,8,20-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-11,15,18-triaza-3lambda~5~,5lambda~5~-diphosphaicos-1-yl]oxidanide (non-preferred name) |
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![GUG GUG](https://data.pdbj.org/pdbjplus/data/cc/svg/GUG.svg) | GUG | Name: | ~{N}-propan-2-ylquinoline-2-carboxamide | Formula: | C13 H14 N2 O | SMILES: | CC(C)NC(=O)c1ccc2ccccc2n1 | InChi: | InChI=1S/C13H14N2O/c1-9(2)14-13(16)12-8-7-10-5-3-4-6-11(10)15-12/h3-9H,1-2H3,(H,14,16) | Definition date: | 2018-06-01 | Last modified: | 2019-04-05 | Release date: | 2019-04-10 | Identifier: | ~{N}-propan-2-ylquinoline-2-carboxamide |
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![GVV GVV](https://data.pdbj.org/pdbjplus/data/cc/svg/GVV.svg) | GVV | Name: | ~{N}-(4-methyl-2-oxidanyl-phenyl)propanamide | Formula: | C10 H13 N O2 | SMILES: | CCC(=O)Nc1ccc(C)cc1O | InChi: | InChI=1S/C10H13NO2/c1-3-10(13)11-8-5-4-7(2)6-9(8)12/h4-6,12H,3H2,1-2H3,(H,11,13) | Definition date: | 2018-06-01 | Last modified: | 2019-04-05 | Release date: | 2019-04-10 | Identifier: | ~{N}-(4-methyl-2-oxidanyl-phenyl)propanamide |
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![G9S G9S](https://data.pdbj.org/pdbjplus/data/cc/svg/G9S.svg) | G9S | Name: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate | Formula: | C27 H53 N2 O8 P S | SMILES: | C(NC(CCNC(C(C(C)(COP(O)(=O)O)C)O)=O)=O)CSC(CCCCCCCCCCCCCCC)=O | InChi: | InChI=1S/C27H53N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(31)39-21-20-28-23(30)18-19-29-26(33)25(32)27(2,3)22-37-38(34,35)36/h25,32H,4-22H2,1-3H3,(H,28,30)(H,29,33)(H2,34,35,36)/t25-/m1/s1 | Definition date: | 2018-05-16 | Last modified: | 2019-03-29 | Release date: | 2019-04-03 | Identifier: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate |
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![JBS JBS](https://data.pdbj.org/pdbjplus/data/cc/svg/JBS.svg) | JBS | Name: | 1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol | Formula: | C30 H32 N6 O3 | SMILES: | O5CCN(c3c1cc(ccc1nc(c2cnn(CC(C)(O)C)c2)n3)c4c(C)onc4C)C(C5)c6ccccc6 | InChi: | InChI=1S/C30H32N6O3/c1-19-27(20(2)39-34-19)22-10-11-25-24(14-22)29(36-12-13-38-17-26(36)21-8-6-5-7-9-21)33-28(32-25)23-15-31-35(16-23)18-30(3,4)37/h5-11,14-16,26,37H,12-13,17-18H2,1-4H3/t26-/m1/s1 | Definition date: | 2018-08-29 | Last modified: | 2019-03-29 | Release date: | 2019-04-03 | Identifier: | 1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol |
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![FXW FXW](https://data.pdbj.org/pdbjplus/data/cc/svg/FXW.svg) | FXW | Name: | 6,6'-(ETHANE-1,2-DIYL)BIS(4-CYCLOPROPYL-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE) | Formula: | C22 H26 N4 O4 S2 | SMILES: | O=[S]1(=O)NCN(C2CC2)c3cc(CCc4ccc5c(c4)N(CN[S]5(=O)=O)C6CC6)ccc13 | InChi: | InChI=1S/C22H26N4O4S2/c27-31(28)21-9-3-15(11-19(21)25(13-23-31)17-5-6-17)1-2-16-4-10-22-20(12-16)26(18-7-8-18)14-24-32(22,29)30/h3-4,9-12,17-18,23-24H,1-2,5-8,13-14H2 | Definition date: | 2018-08-15 | Last modified: | 2019-03-29 | Release date: | 2019-04-03 | Identifier: | 4-cyclopropyl-6-[2-[4-cyclopropyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6},2,4-benzothiadiazin-6-yl]ethyl]-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide |
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![FZV FZV](https://data.pdbj.org/pdbjplus/data/cc/svg/FZV.svg) | FZV | Name: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Formula: | C30 H37 N3 O3 S | SMILES: | CC(OC(=O)NC(CSC(C(=O)NCCc1cccnc1)Cc2ccccc2)Cc3ccccc3)(C)C | InChi: | InChI=1S/C30H37N3O3S/c1-30(2,3)36-29(35)33-26(19-23-11-6-4-7-12-23)22-37-27(20-24-13-8-5-9-14-24)28(34)32-18-16-25-15-10-17-31-21-25/h4-15,17,21,26-27H,16,18-20,22H2,1-3H3,(H,32,34)(H,33,35)/t26-,27+/m0/s1 | Definition date: | 2018-05-02 | Last modified: | 2019-03-29 | Release date: | 2019-04-03 | Identifier: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![G0D G0D](https://data.pdbj.org/pdbjplus/data/cc/svg/G0D.svg) | G0D | Name: | tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Formula: | C29 H35 N3 O3 S | SMILES: | C(SC(Cc1ccccc1)C(=O)NCc2cnccc2)C(Cc3ccccc3)NC(=O)OC(C)(C)C | InChi: | InChI=1S/C29H35N3O3S/c1-29(2,3)35-28(34)32-25(17-22-11-6-4-7-12-22)21-36-26(18-23-13-8-5-9-14-23)27(33)31-20-24-15-10-16-30-19-24/h4-16,19,25-26H,17-18,20-21H2,1-3H3,(H,31,33)(H,32,34)/t25-,26-/m1/s1 | Definition date: | 2018-05-02 | Last modified: | 2019-03-29 | Release date: | 2019-04-03 | Identifier: | tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![G0J G0J](https://data.pdbj.org/pdbjplus/data/cc/svg/G0J.svg) | G0J | Name: | Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[(pyridin-3-yl)methyl]-D-phenylalaninamide | Formula: | C29 H36 N4 O3 | SMILES: | C(=O)(C(Cc1ccccc1)NCC(NC(=O)OC(C)(C)C)Cc2ccccc2)NCc3cccnc3 | InChi: | InChI=1S/C29H36N4O3/c1-29(2,3)36-28(35)33-25(17-22-11-6-4-7-12-22)21-31-26(18-23-13-8-5-9-14-23)27(34)32-20-24-15-10-16-30-19-24/h4-16,19,25-26,31H,17-18,20-21H2,1-3H3,(H,32,34)(H,33,35)/t25-,26+/m0/s1 | Definition date: | 2018-05-02 | Last modified: | 2019-03-29 | Release date: | 2019-04-03 | Identifier: | Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[(pyridin-3-yl)methyl]-D-phenylalaninamide |
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![G0M G0M](https://data.pdbj.org/pdbjplus/data/cc/svg/G0M.svg) | G0M | Name: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Formula: | C29 H35 N3 O3 S | SMILES: | C(SC(Cc1ccccc1)C(=O)NCc2cnccc2)C(Cc3ccccc3)NC(=O)OC(C)(C)C | InChi: | InChI=1S/C29H35N3O3S/c1-29(2,3)35-28(34)32-25(17-22-11-6-4-7-12-22)21-36-26(18-23-13-8-5-9-14-23)27(33)31-20-24-15-10-16-30-19-24/h4-16,19,25-26H,17-18,20-21H2,1-3H3,(H,31,33)(H,32,34)/t25-,26+/m0/s1 | Definition date: | 2018-05-02 | Last modified: | 2019-03-29 | Release date: | 2019-04-03 | Identifier: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![G0V G0V](https://data.pdbj.org/pdbjplus/data/cc/svg/G0V.svg) | G0V | Name: | tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Formula: | C30 H37 N3 O3 S | SMILES: | CC(OC(NC(Cc1ccccc1)CSC(C(=O)NCCc2cccnc2)Cc3ccccc3)=O)(C)C | InChi: | InChI=1S/C30H37N3O3S/c1-30(2,3)36-29(35)33-26(19-23-11-6-4-7-12-23)22-37-27(20-24-13-8-5-9-14-24)28(34)32-18-16-25-15-10-17-31-21-25/h4-15,17,21,26-27H,16,18-20,22H2,1-3H3,(H,32,34)(H,33,35)/t26-,27-/m1/s1 | Definition date: | 2018-05-02 | Last modified: | 2019-03-29 | Release date: | 2019-04-03 | Identifier: | tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![G0Y G0Y](https://data.pdbj.org/pdbjplus/data/cc/svg/G0Y.svg) | G0Y | Name: | tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Formula: | C30 H37 N3 O3 S | SMILES: | C(C(Cc1ccccc1)NC(OC(C)(C)C)=O)SC(C(=O)NCCc2cccnc2)Cc3ccccc3 | InChi: | InChI=1S/C30H37N3O3S/c1-30(2,3)36-29(35)33-26(19-23-11-6-4-7-12-23)22-37-27(20-24-13-8-5-9-14-24)28(34)32-18-16-25-15-10-17-31-21-25/h4-15,17,21,26-27H,16,18-20,22H2,1-3H3,(H,32,34)(H,33,35)/t26-,27+/m1/s1 | Definition date: | 2018-05-02 | Last modified: | 2019-03-29 | Release date: | 2019-04-03 | Identifier: | tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![G1D G1D](https://data.pdbj.org/pdbjplus/data/cc/svg/G1D.svg) | G1D | Name: | Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[2-(pyridin-3-yl)ethyl]-D-phenylalaninamide | Formula: | C30 H38 N4 O3 | SMILES: | C(=O)(C(NCC(Cc1ccccc1)NC(=O)OC(C)(C)C)Cc2ccccc2)NCCc3cccnc3 | InChi: | InChI=1S/C30H38N4O3/c1-30(2,3)37-29(36)34-26(19-23-11-6-4-7-12-23)22-33-27(20-24-13-8-5-9-14-24)28(35)32-18-16-25-15-10-17-31-21-25/h4-15,17,21,26-27,33H,16,18-20,22H2,1-3H3,(H,32,35)(H,34,36)/t26-,27+/m0/s1 | Definition date: | 2018-05-02 | Last modified: | 2019-03-29 | Release date: | 2019-04-03 | Identifier: | Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[2-(pyridin-3-yl)ethyl]-D-phenylalaninamide |
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![G1J G1J](https://data.pdbj.org/pdbjplus/data/cc/svg/G1J.svg) | G1J | Name: | tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Formula: | C29 H35 N3 O3 S | SMILES: | C(Cc1ccccc1)(C(=O)NCc2cnccc2)SCC(Cc3ccccc3)NC(=O)OC(C)(C)C | InChi: | InChI=1S/C29H35N3O3S/c1-29(2,3)35-28(34)32-25(17-22-11-6-4-7-12-22)21-36-26(18-23-13-8-5-9-14-23)27(33)31-20-24-15-10-16-30-19-24/h4-16,19,25-26H,17-18,20-21H2,1-3H3,(H,31,33)(H,32,34)/t25-,26+/m1/s1 | Definition date: | 2018-05-02 | Last modified: | 2019-03-29 | Release date: | 2019-04-03 | Identifier: | tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![Z3P Z3P](https://data.pdbj.org/pdbjplus/data/cc/svg/Z3P.svg) | Z3P | Name: | 3,3',3''-phosphoryltripropanoic acid | Formula: | C9 H15 O7 P | SMILES: | O=C(O)CCP(=O)(CCC(=O)O)CCC(=O)O | InChi: | InChI=1S/C9H15O7P/c10-7(11)1-4-17(16,5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15) | Definition date: | 2016-05-11 | Last modified: | 2019-03-22 | Release date: | 2019-03-27 | Identifier: | 3,3',3''-phosphoryltripropanoic acid |
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![FXB FXB](https://data.pdbj.org/pdbjplus/data/cc/svg/FXB.svg) | FXB | Name: | 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione | Formula: | C21 H21 N O3 | SMILES: | CC(C)n1c2CCCC(=O)c2c3C(=O)c4cccc(OCC=C)c4c13 | InChi: | InChI=1S/C21H21NO3/c1-4-11-25-16-10-5-7-13-17(16)20-19(21(13)24)18-14(22(20)12(2)3)8-6-9-15(18)23/h4-5,7,10,12H,1,6,8-9,11H2,2-3H3 | Definition date: | 2018-08-11 | Last modified: | 2019-03-22 | Release date: | 2019-03-27 | Identifier: | 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione |
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![KCD KCD](https://data.pdbj.org/pdbjplus/data/cc/svg/KCD.svg) | KCD | Name: | 7-(difluoromethoxy)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide | Formula: | C20 H24 F2 N2 O3 | SMILES: | CC(C)(C1CCC(CC1)NC(c3cnc2cc(OC(F)F)ccc2c3)=O)O | InChi: | InChI=1S/C20H24F2N2O3/c1-20(2,26)14-4-6-15(7-5-14)24-18(25)13-9-12-3-8-16(27-19(21)22)10-17(12)23-11-13/h3,8-11,14-15,19,26H,4-7H2,1-2H3,(H,24,25)/t14-,15- | Definition date: | 2018-11-20 | Last modified: | 2019-03-22 | Release date: | 2019-03-27 | Identifier: | 7-(difluoromethoxy)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide |
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![GZ5 GZ5](https://data.pdbj.org/pdbjplus/data/cc/svg/GZ5.svg) | GZ5 | Name: | (2~{R})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide | Formula: | C30 H36 Cl N5 O | SMILES: | N[CH](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc3c4CCCCc4nc5cc(Cl)ccc35 | InChi: | InChI=1S/C30H36ClN5O/c31-21-13-14-24-28(18-21)36-27-12-6-4-10-23(27)29(24)33-15-7-1-2-8-16-34-30(37)25(32)17-20-19-35-26-11-5-3-9-22(20)26/h3,5,9,11,13-14,18-19,25,35H,1-2,4,6-8,10,12,15-17,32H2,(H,33,36)(H,34,37)/t25-/m1/s1 | Definition date: | 2018-10-26 | Last modified: | 2019-03-22 | Release date: | 2019-03-27 | Identifier: | (2~{R})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide |
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![H2G H2G](https://data.pdbj.org/pdbjplus/data/cc/svg/H2G.svg) | H2G | Name: | (2S)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol | Formula: | C9 H15 N O S | SMILES: | N(CC(C)O)Cc1ccc(s1)C | InChi: | InChI=1S/C9H15NOS/c1-7(11)5-10-6-9-4-3-8(2)12-9/h3-4,7,10-11H,5-6H2,1-2H3/t7-/m0/s1 | Definition date: | 2018-06-11 | Last modified: | 2019-03-22 | Release date: | 2019-03-27 | Identifier: | (2S)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol |
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![HUK HUK](https://data.pdbj.org/pdbjplus/data/cc/svg/HUK.svg) | HUK | Name: | butyl-[(2~{S})-1-[2-cycloheptylethyl(methyl)azaniumyl]-3-(1~{H}-indol-3-yl)propan-2-yl]-methyl-azanium | Formula: | C26 H45 N3 | SMILES: | CCCC[NH+](C)[CH](C[NH+](C)CCC1CCCCCC1)Cc2c[nH]c3ccccc23 | InChi: | InChI=1S/C26H43N3/c1-4-5-17-29(3)24(19-23-20-27-26-15-11-10-14-25(23)26)21-28(2)18-16-22-12-8-6-7-9-13-22/h10-11,14-15,20,22,24,27H,4-9,12-13,16-19,21H2,1-3H3/p+2/t24-/m0/s1 | Definition date: | 2018-12-19 | Last modified: | 2019-03-22 | Release date: | 2019-03-27 | Identifier: | butyl-[(2~{S})-1-[2-cycloheptylethyl(methyl)azaniumyl]-3-(1~{H}-indol-3-yl)propan-2-yl]-methyl-azanium |
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![HUN HUN](https://data.pdbj.org/pdbjplus/data/cc/svg/HUN.svg) | HUN | Name: | butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium | Formula: | C24 H38 N3 O | SMILES: | CCCC[NH2+][CH](Cc1c[nH]c2ccccc12)C(=O)NCCC3CCCCCC3 | InChi: | InChI=1S/C24H37N3O/c1-2-3-15-25-23(17-20-18-27-22-13-9-8-12-21(20)22)24(28)26-16-14-19-10-6-4-5-7-11-19/h8-9,12-13,18-19,23,25,27H,2-7,10-11,14-17H2,1H3,(H,26,28)/p+1/t23-/m0/s1 | Definition date: | 2018-12-19 | Last modified: | 2019-03-22 | Release date: | 2019-03-27 | Identifier: | butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium |
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![HUQ HUQ](https://data.pdbj.org/pdbjplus/data/cc/svg/HUQ.svg) | HUQ | Name: | butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium | Formula: | C26 H42 N3 O | SMILES: | CCCC[N+](C)(C)[CH](Cc1c[nH]c2ccccc12)C(=O)NCCC3CCCCCC3 | InChi: | InChI=1S/C26H41N3O/c1-4-5-18-29(2,3)25(19-22-20-28-24-15-11-10-14-23(22)24)26(30)27-17-16-21-12-8-6-7-9-13-21/h10-11,14-15,20-21,25,28H,4-9,12-13,16-19H2,1-3H3/p+1/t25-/m0/s1 | Definition date: | 2018-12-19 | Last modified: | 2019-03-22 | Release date: | 2019-03-27 | Identifier: | butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium |
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![HUT HUT](https://data.pdbj.org/pdbjplus/data/cc/svg/HUT.svg) | HUT | Name: | (2~{S})-2-(butylamino)-~{N}-(3-cycloheptylpropyl)-3-(1~{H}-indol-3-yl)propanamide | Formula: | C25 H39 N3 O | SMILES: | CCCCN[CH](Cc1c[nH]c2ccccc12)C(=O)NCCCC3CCCCCC3 | InChi: | InChI=1S/C25H39N3O/c1-2-3-16-26-24(18-21-19-28-23-15-9-8-14-22(21)23)25(29)27-17-10-13-20-11-6-4-5-7-12-20/h8-9,14-15,19-20,24,26,28H,2-7,10-13,16-18H2,1H3,(H,27,29)/t24-/m0/s1 | Definition date: | 2018-12-19 | Last modified: | 2019-03-22 | Release date: | 2019-03-27 | Identifier: | (2~{S})-2-(butylamino)-~{N}-(3-cycloheptylpropyl)-3-(1~{H}-indol-3-yl)propanamide |
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![HUZ HUZ](https://data.pdbj.org/pdbjplus/data/cc/svg/HUZ.svg) | HUZ | Name: | (2~{S})-2-(butylamino)-~{N}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{H}-indol-3-yl)propanamide | Formula: | C25 H40 N4 O | SMILES: | CCCCN[CH](Cc1c[nH]c2ccccc12)C(=O)NCC[CH]3CC[CH](CC3)N(C)C | InChi: | InChI=1S/C25H40N4O/c1-4-5-15-26-24(17-20-18-28-23-9-7-6-8-22(20)23)25(30)27-16-14-19-10-12-21(13-11-19)29(2)3/h6-9,18-19,21,24,26,28H,4-5,10-17H2,1-3H3,(H,27,30)/t19-,21-,24-/m0/s1 | Definition date: | 2018-12-19 | Last modified: | 2019-03-22 | Release date: | 2019-03-27 | Identifier: | (2~{S})-2-(butylamino)-~{N}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{H}-indol-3-yl)propanamide |
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![YT4 YT4](https://data.pdbj.org/pdbjplus/data/cc/svg/YT4.svg) | YT4 | Name: | methyl (2R)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate | Formula: | C12 H15 N O4 S | SMILES: | COC(=O)[CH](CS)NC(=O)OCc1ccccc1 | InChi: | InChI=1S/C12H15NO4S/c1-16-11(14)10(8-18)13-12(15)17-7-9-5-3-2-4-6-9/h2-6,10,18H,7-8H2,1H3,(H,13,15)/t10-/m0/s1 | Definition date: | 2018-03-20 | Last modified: | 2019-03-15 | Release date: | 2019-03-20 | Identifier: | methyl (2~{R})-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate |
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