![5E8 5E8](https://data.pdbj.org/pdbjplus/data/cc/svg/5E8.svg) | 5E8 | Name: | ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Formula: | C21 H28 N2 O4 | SMILES: | O=C1C(CCN1)CC(C=C/C(OCC)=O)NC(=O)C(Cc2ccccc2)C | InChi: | InChI=1S/C21H28N2O4/c1-3-27-19(24)10-9-18(14-17-11-12-22-21(17)26)23-20(25)15(2)13-16-7-5-4-6-8-16/h4-10,15,17-18H,3,11-14H2,1-2H3,(H,22,26)(H,23,25)/t15-,17-,18+/m0/s1 | Definition date: | 2015-09-16 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate |
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![5E9 5E9](https://data.pdbj.org/pdbjplus/data/cc/svg/5E9.svg) | 5E9 | Name: | ethyl (2Z,4S)-4-{[(2R,5S)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Formula: | C26 H36 F N3 O5 | SMILES: | C(CC(C(N)C(C)C)=O)(Cc1ccc(cc1)F)C(NC(/C=CC(=O)OCC)CC2CCNC2=O)=O | InChi: | InChI=1S/C26H36FN3O5/c1-4-35-23(32)10-9-21(14-18-11-12-29-25(18)33)30-26(34)19(15-22(31)24(28)16(2)3)13-17-5-7-20(27)8-6-17/h5-10,16,18-19,21,24H,4,11-15,28H2,1-3H3,(H,29,33)(H,30,34)/t18-,19+,21+,24-/m0/s1 | Definition date: | 2015-09-16 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | ethyl (2Z,4S)-4-{[(2R,5S)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate |
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![5EB 5EB](https://data.pdbj.org/pdbjplus/data/cc/svg/5EB.svg) | 5EB | Name: | ethyl (2Z,4S)-4-{[N-(3-cyclopropylpropanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Formula: | C26 H35 N3 O5 | SMILES: | C(Cc1ccccc1)(C(=O)NC(C=C/C(=O)OCC)CC2C(NCC2)=O)NC(=O)CCC3CC3 | InChi: | InChI=1S/C26H35N3O5/c1-2-34-24(31)13-11-21(17-20-14-15-27-25(20)32)28-26(33)22(16-19-6-4-3-5-7-19)29-23(30)12-10-18-8-9-18/h3-7,11,13,18,20-22H,2,8-10,12,14-17H2,1H3,(H,27,32)(H,28,33)(H,29,30)/t20-,21+,22-/m0/s1 | Definition date: | 2015-09-16 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | ethyl (2Z,4S)-4-{[N-(3-cyclopropylpropanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate |
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![5EC 5EC](https://data.pdbj.org/pdbjplus/data/cc/svg/5EC.svg) | 5EC | Name: | ethyl (2Z,4S)-4-{[N-(3-methylbutanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Formula: | C25 H35 N3 O5 | SMILES: | C(NC(CC(C)C)=O)(Cc1ccccc1)C(=O)NC(CC2CCNC2=O)[C@H]=[C@H]C(OCC)=O | InChi: | InChI=1S/C25H35N3O5/c1-4-33-23(30)11-10-20(16-19-12-13-26-24(19)31)27-25(32)21(28-22(29)14-17(2)3)15-18-8-6-5-7-9-18/h5-11,17,19-21H,4,12-16H2,1-3H3,(H,26,31)(H,27,32)(H,28,29)/t19-,20+,21-/m0/s1 | Definition date: | 2015-09-16 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | ethyl (2Z,4S)-4-{[N-(3-methylbutanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate |
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![5ED 5ED](https://data.pdbj.org/pdbjplus/data/cc/svg/5ED.svg) | 5ED | Name: | ethyl (2Z,4S)-4-[(N-{[(2-cyclopropylethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Formula: | C27 H36 N4 O6 | SMILES: | N1CCC(C1=O)CC(NC(C(NC(C(=O)NCCC2CC2)=O)Cc3ccccc3)=O)C=[C@H]C(OCC)=O | InChi: | InChI=1S/C27H36N4O6/c1-2-37-23(32)11-10-21(17-20-13-15-28-24(20)33)30-25(34)22(16-19-6-4-3-5-7-19)31-27(36)26(35)29-14-12-18-8-9-18/h3-7,10-11,18,20-22H,2,8-9,12-17H2,1H3,(H,28,33)(H,29,35)(H,30,34)(H,31,36)/t20-,21+,22-/m0/s1 | Definition date: | 2015-09-16 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | ethyl (2Z,4S)-4-[(N-{[(2-cyclopropylethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate |
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![5EX 5EX](https://data.pdbj.org/pdbjplus/data/cc/svg/5EX.svg) | 5EX | Name: | ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Formula: | C27 H36 N4 O6 | SMILES: | C1(CCC1)CNC(=O)C(NC(Cc2ccccc2)C(NC(CC3CCNC3=O)[C@H]=[C@H]C(OCC)=O)=O)=O | InChi: | InChI=1S/C27H36N4O6/c1-2-37-23(32)12-11-21(16-20-13-14-28-24(20)33)30-25(34)22(15-18-7-4-3-5-8-18)31-27(36)26(35)29-17-19-9-6-10-19/h3-5,7-8,11-12,19-22H,2,6,9-10,13-17H2,1H3,(H,28,33)(H,29,35)(H,30,34)(H,31,36)/t20-,21+,22-/m0/s1 | Definition date: | 2015-09-18 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate |
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![5F2 5F2](https://data.pdbj.org/pdbjplus/data/cc/svg/5F2.svg) | 5F2 | Name: | ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Formula: | C22 H29 N3 O5 | SMILES: | N2CCC(CC(/C=CC(=O)OCC)NC(C(NC(C)=O)Cc1ccccc1)=O)C2=O | InChi: | InChI=1S/C22H29N3O5/c1-3-30-20(27)10-9-18(14-17-11-12-23-21(17)28)25-22(29)19(24-15(2)26)13-16-7-5-4-6-8-16/h4-10,17-19H,3,11-14H2,1-2H3,(H,23,28)(H,24,26)(H,25,29)/t17-,18+,19-/m0/s1 | Definition date: | 2015-09-18 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate |
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![5FQ 5FQ](https://data.pdbj.org/pdbjplus/data/cc/svg/5FQ.svg) | 5FQ | Name: | N-pentyl-L-alaninamide | Formula: | C8 H18 N2 O | SMILES: | CCCCCNC(C(C)N)=O | InChi: | InChI=1S/C8H18N2O/c1-3-4-5-6-10-8(11)7(2)9/h7H,3-6,9H2,1-2H3,(H,10,11)/t7-/m0/s1 | Definition date: | 2015-09-21 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | N-pentyl-L-alaninamide |
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![5GH 5GH](https://data.pdbj.org/pdbjplus/data/cc/svg/5GH.svg) | 5GH | Name: | ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate | Formula: | C20 H26 N2 O4 | SMILES: | N2CCC(CC(NC(CCc1ccccc1)=O)[C@H]=[C@H]C(OCC)=O)C2=O | InChi: | InChI=1S/C20H26N2O4/c1-2-26-19(24)11-9-17(14-16-12-13-21-20(16)25)22-18(23)10-8-15-6-4-3-5-7-15/h3-7,9,11,16-17H,2,8,10,12-14H2,1H3,(H,21,25)(H,22,23)/b11-9-/t16-,17+/m0/s1 | Definition date: | 2015-09-24 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate |
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![4S9 4S9](https://data.pdbj.org/pdbjplus/data/cc/svg/4S9.svg) | 4S9 | Name: | tert-butyl [(1S)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate | Formula: | C13 H17 Br N2 O4 | SMILES: | c1(ccc(cc1)Br)C(C(NO)=O)NC(OC(C)(C)C)=O | InChi: | InChI=1S/C13H17BrN2O4/c1-13(2,3)20-12(18)15-10(11(17)16-19)8-4-6-9(14)7-5-8/h4-7,10,19H,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1 | Definition date: | 2015-05-20 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | tert-butyl [(1S)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate |
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![4SA 4SA](https://data.pdbj.org/pdbjplus/data/cc/svg/4SA.svg) | 4SA | Name: | tert-butyl [(1S)-1-(biphenyl-4-yl)-2-(hydroxyamino)-2-oxoethyl]carbamate | Formula: | C19 H22 N2 O4 | SMILES: | c2ccc(c1ccc(C(NC(OC(C)(C)C)=O)C(NO)=O)cc1)cc2 | InChi: | InChI=1S/C19H22N2O4/c1-19(2,3)25-18(23)20-16(17(22)21-24)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12,16,24H,1-3H3,(H,20,23)(H,21,22)/t16-/m0/s1 | Definition date: | 2015-05-20 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | tert-butyl [(1S)-1-(biphenyl-4-yl)-2-(hydroxyamino)-2-oxoethyl]carbamate |
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![4SY 4SY](https://data.pdbj.org/pdbjplus/data/cc/svg/4SY.svg) | 4SY | Name: | tert-butyl {(1S)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}carbamate | Formula: | C17 H22 N4 O4 | SMILES: | c1(ccc(cc1)c2cnn(c2)C)C(NC(OC(C)(C)C)=O)C(=O)NO | InChi: | InChI=1S/C17H22N4O4/c1-17(2,3)25-16(23)19-14(15(22)20-24)12-7-5-11(6-8-12)13-9-18-21(4)10-13/h5-10,14,24H,1-4H3,(H,19,23)(H,20,22)/t14-/m0/s1 | Definition date: | 2015-05-21 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | tert-butyl {(1S)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}carbamate |
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![4SZ 4SZ](https://data.pdbj.org/pdbjplus/data/cc/svg/4SZ.svg) | 4SZ | Name: | tert-butyl [(1S)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]carbamate | Formula: | C19 H19 F3 N2 O4 | SMILES: | CC(OC(NC(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO)=O)(C)C | InChi: | InChI=1S/C19H19F3N2O4/c1-19(2,3)28-18(26)23-16(17(25)24-27)11-6-4-10(5-7-11)12-8-13(20)15(22)14(21)9-12/h4-9,16,27H,1-3H3,(H,23,26)(H,24,25)/t16-/m0/s1 | Definition date: | 2015-05-21 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | tert-butyl [(1S)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]carbamate |
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![4T2 4T2](https://data.pdbj.org/pdbjplus/data/cc/svg/4T2.svg) | 4T2 | Name: | tert-butyl {(1S)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}carbamate | Formula: | C20 H24 N4 O5 | SMILES: | CC(OC(NC(c1ccc(cc1)c2cccc(c2)C(=NO)N)C(=O)NO)=O)(C)C | InChi: | InChI=1S/C20H24N4O5/c1-20(2,3)29-19(26)22-16(18(25)24-28)13-9-7-12(8-10-13)14-5-4-6-15(11-14)17(21)23-27/h4-11,16,27-28H,1-3H3,(H2,21,23)(H,22,26)(H,24,25)/t16-/m0/s1 | Definition date: | 2015-05-21 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | tert-butyl {(1S)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}carbamate |
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![4TK 4TK](https://data.pdbj.org/pdbjplus/data/cc/svg/4TK.svg) | 4TK | Name: | N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide | Formula: | C13 H17 Br N2 O3 | SMILES: | C(c1ccc(Br)cc1)(NC(=O)C(C)(C)C)C(=O)NO | InChi: | InChI=1S/C13H17BrN2O3/c1-13(2,3)12(18)15-10(11(17)16-19)8-4-6-9(14)7-5-8/h4-7,10,19H,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1 | Definition date: | 2015-05-22 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide |
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![4TL 4TL](https://data.pdbj.org/pdbjplus/data/cc/svg/4TL.svg) | 4TL | Name: | N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide | Formula: | C19 H19 F3 N2 O3 | SMILES: | CC(C)(C(NC(c1ccc(cc1)c2cc(F)c(F)c(F)c2)C(=O)NO)=O)C | InChi: | InChI=1S/C19H19F3N2O3/c1-19(2,3)18(26)23-16(17(25)24-27)11-6-4-10(5-7-11)12-8-13(20)15(22)14(21)9-12/h4-9,16,27H,1-3H3,(H,23,26)(H,24,25)/t16-/m1/s1 | Definition date: | 2015-05-22 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide |
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![4TM 4TM](https://data.pdbj.org/pdbjplus/data/cc/svg/4TM.svg) | 4TM | Name: | N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide | Formula: | C17 H20 N2 O3 S | SMILES: | CC(C)(C(NC(c1ccc(cc1)c2ccsc2)C(=O)NO)=O)C | InChi: | InChI=1S/C17H20N2O3S/c1-17(2,3)16(21)18-14(15(20)19-22)12-6-4-11(5-7-12)13-8-9-23-10-13/h4-10,14,22H,1-3H3,(H,18,21)(H,19,20)/t14-/m1/s1 | Definition date: | 2015-05-22 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide |
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![4TY 4TY](https://data.pdbj.org/pdbjplus/data/cc/svg/4TY.svg) | 4TY | Name: | tert-butyl [(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate | Formula: | C13 H17 Br N2 O4 | SMILES: | c1(ccc(cc1)Br)C(C(NO)=O)NC(=O)OC(C)(C)C | InChi: | InChI=1S/C13H17BrN2O4/c1-13(2,3)20-12(18)15-10(11(17)16-19)8-4-6-9(14)7-5-8/h4-7,10,19H,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1 | Definition date: | 2015-05-27 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | tert-butyl [(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate |
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![4U5 4U5](https://data.pdbj.org/pdbjplus/data/cc/svg/4U5.svg) | 4U5 | Name: | N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide | Formula: | C17 H22 N4 O3 | SMILES: | CC(C)(C)C(NC(C(=O)NO)c1ccc(cc1)c2cnn(c2)C)=O | InChi: | InChI=1S/C17H22N4O3/c1-17(2,3)16(23)19-14(15(22)20-24)12-7-5-11(6-8-12)13-9-18-21(4)10-13/h5-10,14,24H,1-4H3,(H,19,23)(H,20,22)/t14-/m1/s1 | Definition date: | 2015-05-27 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide |
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![4U6 4U6](https://data.pdbj.org/pdbjplus/data/cc/svg/4U6.svg) | 4U6 | Name: | N-{(1R)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide | Formula: | C20 H24 N4 O4 | SMILES: | CC(C)(C)C(NC(C(=O)NO)c1ccc(cc1)c2cc(ccc2)/C(N)=N/O)=O | InChi: | InChI=1S/C20H24N4O4/c1-20(2,3)19(26)22-16(18(25)24-28)13-9-7-12(8-10-13)14-5-4-6-15(11-14)17(21)23-27/h4-11,16,27-28H,1-3H3,(H2,21,23)(H,22,26)(H,24,25)/t16-/m1/s1 | Definition date: | 2015-05-27 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | N-{(1R)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide |
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![603 603](https://data.pdbj.org/pdbjplus/data/cc/svg/603.svg) | 603 | Name: | ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide | Formula: | C26 H25 N3 O7 S | SMILES: | O[CH]1O[CH](CN[S](=O)(=O)c2ccc(cc2)C#N)[CH](O)[CH](O)[CH]1NC(=O)c3cccc(c3)c4ccccc4 | InChi: | InChI=1S/C26H25N3O7S/c27-14-16-9-11-20(12-10-16)37(34,35)28-15-21-23(30)24(31)22(26(33)36-21)29-25(32)19-8-4-7-18(13-19)17-5-2-1-3-6-17/h1-13,21-24,26,28,30-31,33H,15H2,(H,29,32)/t21-,22-,23-,24-,26+/m1/s1 | Definition date: | 2016-01-07 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide |
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![62C 62C](https://data.pdbj.org/pdbjplus/data/cc/svg/62C.svg) | 62C | Name: | 2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose | Formula: | C15 H17 Cl2 N O6 | SMILES: | C2(C(CO)OC(C(NC(=O)C=Cc1ccc(c(c1)Cl)Cl)C2O)O)O | InChi: | InChI=1S/C15H17Cl2NO6/c16-8-3-1-7(5-9(8)17)2-4-11(20)18-12-14(22)13(21)10(6-19)24-15(12)23/h1-5,10,12-15,19,21-23H,6H2,(H,18,20)/b4-2+/t10-,12-,13-,14-,15+/m1/s1 | Definition date: | 2016-01-15 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | 2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose |
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![62X 62X](https://data.pdbj.org/pdbjplus/data/cc/svg/62X.svg) | 62X | Name: | 5'-{[(3S)-3-amino-3-carboxypropyl][3-(dimethylamino)propyl]amino}-5'-deoxyadenosine | Formula: | C19 H32 N8 O5 | SMILES: | C(N(C)C)CCN(CCC(C(O)=O)N)CC1C(O)C(C(O1)n2cnc3c2ncnc3N)O | InChi: | InChI=1S/C19H32N8O5/c1-25(2)5-3-6-26(7-4-11(20)19(30)31)8-12-14(28)15(29)18(32-12)27-10-24-13-16(21)22-9-23-17(13)27/h9-12,14-15,18,28-29H,3-8,20H2,1-2H3,(H,30,31)(H2,21,22,23)/t11-,12+,14+,15+,18+/m0/s1 | Definition date: | 2016-01-18 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | 5'-{[(3S)-3-amino-3-carboxypropyl][3-(dimethylamino)propyl]amino}-5'-deoxyadenosine |
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![68J 68J](https://data.pdbj.org/pdbjplus/data/cc/svg/68J.svg) | 68J | Name: | N-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide | Formula: | C37 H39 F N4 O2 | SMILES: | CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3C#CCC4(CC4)NC(=O)c5ccc(cc5)F | InChi: | InChI=1S/C37H39FN4O2/c1-36(2,3)21-22-40-33(43)17-13-28-24-29-23-27(12-16-32(29)41-34(28)39)31-9-5-4-7-25(31)8-6-18-37(19-20-37)42-35(44)26-10-14-30(38)15-11-26/h4-5,7,9-12,14-16,23-24H,13,17-22H2,1-3H3,(H2,39,41)(H,40,43)(H,42,44) | Definition date: | 2016-02-17 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | N-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide |
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![68K 68K](https://data.pdbj.org/pdbjplus/data/cc/svg/68K.svg) | 68K | Name: | N-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide | Formula: | C38 H40 F N5 O2 | SMILES: | CC(CCNC(CCc1c(N)nc2c(c1)cc(cc2)c3c(cccc3)CCc4ccc(cn4)NC(c5ccc(cc5)F)=O)=O)(C)C | InChi: | InChI=1S/C38H40FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,10,12,15,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46) | Definition date: | 2016-02-17 | Last modified: | 2016-03-25 | Release date: | 2016-03-30 | Identifier: | N-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide |
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