![P7H P7H](https://data.pdbj.org/pdbjplus/data/cc/svg/P7H.svg) | P7H | 表記: | Meta-Carborane di-propyl-sulfonamide | 組成式: | C8 H16 B10 N2 O4 S2 | SMILES: | N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]5%11%12[B]8%13%14[B]9%15%16[B]16%10[B]2%15%17[B]3%18%19[B]47%11[B]%12%13%18[C]%14%16%17%19CCC[S](N)(=O)=O | InChi: | InChI=1S/C8H16B10N2O4S2/c19-25(21,22)5-1-3-7-9-8(4-2-6-26(20,23)24)10(7,9)12(7)14(8,10)16(8)13(8,9)11(7,9)15(7,12)17(11,13,16)18(12,14,15)16/h1-6H2,(H2,19,21,22)(H2,20,23,24) | 定義日: | 2020-04-16 | 最終更新日: | 2020-08-14 | 公開日: | 2020-08-19 |
|
![P7Z P7Z](https://data.pdbj.org/pdbjplus/data/cc/svg/P7Z.svg) | P7Z | 表記: | Ortho-Carborane di-propyl-sulfonamide | 組成式: | C8 H16 B10 N2 O4 S2 | SMILES: | N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18(CCC[S](N)(=O)=O)[B]47%14%16 | InChi: | InChI=1S/C8H16B10N2O4S2/c19-25(21,22)5-1-3-7-8(4-2-6-26(20,23)24)9(7)11(7)12(7)10(7,8)14(8)13(8,9)15(9,11)17(11,12)16(10,12,14)18(13,14,15)17/h1-6H2,(H2,19,21,22)(H2,20,23,24) | 定義日: | 2020-04-16 | 最終更新日: | 2020-08-14 | 公開日: | 2020-08-19 |
|
![P82 P82](https://data.pdbj.org/pdbjplus/data/cc/svg/P82.svg) | P82 | 表記: | Para-Carborane di-propyl-sulfonamide | 組成式: | C8 H16 B10 N2 O4 S2 | SMILES: | N[S](=O)(=O)CCC[C]1234[B]567[B]189[B]2%10%11[B]3%12%13[B]45%14[B]6%15%16[B]78%17[B]9%10%18[B]%11%12%19[B]%13%14%15[C]%16%17%18%19CCC[S](N)(=O)=O | InChi: | InChI=1S/C8H16B10N2O4S2/c19-25(21,22)5-1-3-7-9-10(7)12(7)13(7)11(7,9)15(9)8(4-2-6-26(20,23)24)14(9,10,15)16(8,10,12)18(8,12,13)17(8,11,13)15/h1-6H2,(H2,19,21,22)(H2,20,23,24) | 定義日: | 2020-04-16 | 最終更新日: | 2020-08-14 | 公開日: | 2020-08-19 |
|
![P8B P8B](https://data.pdbj.org/pdbjplus/data/cc/svg/P8B.svg) | P8B | 表記: | Para-Carborane propyl-sulfonamide | 組成式: | C5 H8 B10 N O2 S | SMILES: | N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]5%11%12[B]%13%14%15[B]%16%17%18[B]8%19([B]169[B]2%16%19[B]3%13%17[B]47%11%14)[C]%10%12%15%18 | InChi: | InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-5-11-6-4-7(6,11)9(4)10(4)8(4,6)12(5,6,11)14(5,8,10)15(5,9,10)13(5,7,9)11/h1-3H2,(H2,16,17,18) | 定義日: | 2020-04-16 | 最終更新日: | 2020-08-14 | 公開日: | 2020-08-19 |
|
![P8Y P8Y](https://data.pdbj.org/pdbjplus/data/cc/svg/P8Y.svg) | P8Y | 表記: | (2S,3S,4S,5R)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol | 組成式: | C12 H25 N O5 S | SMILES: | C(CS(CC1NCC(C(C1O)O)O)(=O)=O)CC(C)C | InChi: | InChI=1S/C12H25NO5S/c1-8(2)4-3-5-19(17,18)7-9-11(15)12(16)10(14)6-13-9/h8-16H,3-7H2,1-2H3/t9-,10-,11+,12+/m1/s1 | 定義日: | 2019-08-06 | 最終更新日: | 2020-08-14 | 公開日: | 2020-08-19 | 識別子(ID): | (2S,3S,4S,5R)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol |
|
![P9V P9V](https://data.pdbj.org/pdbjplus/data/cc/svg/P9V.svg) | P9V | 表記: | (2R,3S,4S,5R)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol | 組成式: | C8 H17 N O3 S | SMILES: | CSCCC1NCC(C(C1O)O)O | InChi: | InChI=1S/C8H17NO3S/c1-13-3-2-5-7(11)8(12)6(10)4-9-5/h5-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1 | 定義日: | 2019-08-06 | 最終更新日: | 2020-08-14 | 公開日: | 2020-08-19 | 識別子(ID): | (2R,3S,4S,5R)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol |
|
![BV6 BV6](https://data.pdbj.org/pdbjplus/data/cc/svg/BV6.svg) | BV6 | 表記: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol | 組成式: | C18 H25 N O12 S | SMILES: | OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](S[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]1O | InChi: | InChI=1S/C18H25NO12S/c20-5-9-11(22)13(24)14(25)18(31-9)32-16-12(23)10(6-21)30-17(15(16)26)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10+,11-,12+,13+,14-,15+,16+,17-,18+/m1/s1 | 定義日: | 2019-03-10 | 最終更新日: | 2020-08-14 | 公開日: | 2020-08-19 | 識別子(ID): | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol |
|
![X99 X99](https://data.pdbj.org/pdbjplus/data/cc/svg/X99.svg) | X99 | 表記: | 2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione | 組成式: | C20 H21 F2 N3 O4 | SMILES: | FC4(F)CC(C(=O)N1CCCC1)N(C(=O)CCN3C(=O)c2ccccc2C3=O)C4 | InChi: | InChI=1S/C20H21F2N3O4/c21-20(22)11-15(19(29)23-8-3-4-9-23)25(12-20)16(26)7-10-24-17(27)13-5-1-2-6-14(13)18(24)28/h1-2,5-6,15H,3-4,7-12H2/t15-/m0/s1 | 定義日: | 2008-10-09 | 最終更新日: | 2020-08-12 | 識別子(ID): | 2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione |
|
![ROC ROC](https://data.pdbj.org/pdbjplus/data/cc/svg/ROC.svg) | ROC | 表記: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1
-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide | 組成式: | C38 H50 N6 O5 | SMILES: | O=C(N)CC(NC(=O)c1nc2c(cc1)cccc2)C(=O)NC(Cc3ccccc3)C(O)CN5C(C(=O)NC(C)(C)C)CC4C(CCCC4)C5 | InChi: | InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1 | 別名: | Fortovase | 定義日: | 2000-01-04 | 最終更新日: | 2020-08-12 | 識別子(ID): | N~1~-{(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}-N~2~-(quinolin-2-ylcarbonyl)-L-aspartamide |
|
![YJM YJM](https://data.pdbj.org/pdbjplus/data/cc/svg/YJM.svg) | YJM | 表記: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose | 組成式: | C6 H13 N O11 S2 | SMILES: | C1(O)C(NS(O)(=O)=O)C(O)C(C(O1)COS(=O)(O)=O)O | InChi: | InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1 | 別名: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucose | 定義日: | 2016-08-25 | 最終更新日: | 2020-08-11 | 公開日: | 2018-02-21 | 識別子(ID): | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose |
|
![L1L L1L](https://data.pdbj.org/pdbjplus/data/cc/svg/L1L.svg) | L1L | 表記: | 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose | 組成式: | C6 H14 N O8 P | SMILES: | N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(O)=O | InChi: | InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1 | 別名: | [(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] dihydrogen phosphate | 定義日: | 2016-02-09 | 最終更新日: | 2020-08-11 | 公開日: | 2016-08-10 | 識別子(ID): | [(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] dihydrogen phosphate |
|
![GPO GPO](https://data.pdbj.org/pdbjplus/data/cc/svg/GPO.svg) | GPO | 表記: | 4-O-phosphono-D-glycero-beta-D-manno-heptopyranose | 組成式: | C7 H15 O10 P | SMILES: | O=P(O)(O)OC1C(OC(O)C(O)C1O)C(O)CO | InChi: | InChI=1S/C7H15O10P/c8-1-2(9)5-6(17-18(13,14)15)3(10)4(11)7(12)16-5/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4+,5-,6+,7-/m1/s1 | 別名: | 4-O-phosphono-D-glycero-beta-D-manno-heptose | 定義日: | 2008-03-28 | 最終更新日: | 2020-08-11 | 識別子(ID): | 4-O-phosphono-D-glycero-beta-D-manno-heptopyranose |
|
![RV7 RV7](https://data.pdbj.org/pdbjplus/data/cc/svg/RV7.svg) | RV7 | 表記: | 4-amino-4,6-dideoxy-alpha-D-glucopyranose | 組成式: | C6 H13 N O4 | SMILES: | C1(OC(C(C(C1O)O)N)C)O | InChi: | InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6+/m1/s1 | 定義日: | 2020-02-26 | 最終更新日: | 2020-08-11 | 公開日: | 2020-07-29 | 識別子(ID): | 4-amino-4,6-dideoxy-alpha-D-glucopyranose |
|
![TWG TWG](https://data.pdbj.org/pdbjplus/data/cc/svg/TWG.svg) | TWG | 表記: | 6-thio-alpha-D-mannopyranose | 組成式: | C6 H12 O5 S | SMILES: | C1(OC(C(C(C1O)O)O)CS)O | InChi: | InChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5+,6+/m1/s1 | 定義日: | 2020-04-01 | 最終更新日: | 2020-08-11 | 公開日: | 2020-07-29 | 識別子(ID): | 6-thio-alpha-D-mannopyranose |
|
![WXM WXM](https://data.pdbj.org/pdbjplus/data/cc/svg/WXM.svg) | WXM | 表記: | 2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid | 組成式: | C12 H17 B N O6 S | SMILES: | OC(=O)C[CH]1CC[CH](NC(=O)Cc2sccc2)[B-](O)(O)O1 | InChi: | InChI=1S/C12H17BNO6S/c15-11(7-9-2-1-5-21-9)14-10-4-3-8(6-12(16)17)20-13(10,18)19/h1-2,5,8,10,18-19H,3-4,6-7H2,(H,14,15)(H,16,17)/q-1/t8-,10-/m0/s1 | 定義日: | 2019-12-11 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid |
|
![Y41 Y41](https://data.pdbj.org/pdbjplus/data/cc/svg/Y41.svg) | Y41 | 表記: | 3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide | 組成式: | C20 H20 N2 O | SMILES: | O=C(c1cccc(N)c1C)NC(C)c2cccc3c2cccc3 | InChi: | InChI=1S/C20H20N2O/c1-13-16(10-6-12-19(13)21)20(23)22-14(2)17-11-5-8-15-7-3-4-9-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1 | 定義日: | 2020-08-04 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide |
|
![KY3 KY3](https://data.pdbj.org/pdbjplus/data/cc/svg/KY3.svg) | KY3 | 表記: | (1S,2S,4S,5R)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid | 組成式: | C13 H18 O4 S | SMILES: | CO[CH]1C[CH](OC)[CH](C[CH]1C(O)=O)c2sccc2 | InChi: | InChI=1S/C13H18O4S/c1-16-10-7-11(17-2)9(13(14)15)6-8(10)12-4-3-5-18-12/h3-5,8-11H,6-7H2,1-2H3,(H,14,15)/t8-,9+,10+,11+/m1/s1 | 定義日: | 2019-11-27 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | (1~{S},2~{S},4~{S},5~{R})-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid |
|
![OQ2 OQ2](https://data.pdbj.org/pdbjplus/data/cc/svg/OQ2.svg) | OQ2 | 表記: | ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide | 組成式: | C33 H40 F3 N7 O3 | SMILES: | CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)cc2C(F)(F)F | InChi: | InChI=1S/C33H40F3N7O3/c1-4-30(44)43-13-11-26(21-43)39-32-37-12-10-29(40-32)46-28-18-23(7-6-22(28)3)31(45)38-25-9-8-24(27(19-25)33(34,35)36)20-42-16-14-41(5-2)15-17-42/h6-10,12,18-19,26H,4-5,11,13-17,20-21H2,1-3H3,(H,38,45)(H,37,39,40)/t26-/m1/s1 | 定義日: | 2020-03-27 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide |
|
![OQ8 OQ8](https://data.pdbj.org/pdbjplus/data/cc/svg/OQ8.svg) | OQ8 | 表記: | ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide | 組成式: | C33 H40 F3 N7 O3 | SMILES: | CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)cc2C(F)(F)F | InChi: | InChI=1S/C33H40F3N7O3/c1-4-30(44)43-13-11-26(21-43)39-32-37-12-10-29(40-32)46-28-18-23(7-6-22(28)3)31(45)38-25-9-8-24(27(19-25)33(34,35)36)20-42-16-14-41(5-2)15-17-42/h6-10,12,18-19,26H,4-5,11,13-17,20-21H2,1-3H3,(H,38,45)(H,37,39,40)/t26-/m0/s1 | 定義日: | 2020-03-27 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide |
|
![F4O F4O](https://data.pdbj.org/pdbjplus/data/cc/svg/F4O.svg) | F4O | 表記: | 6-methoxy-streptovaricin C | 組成式: | C40 H53 N O14 | SMILES: | COC(=O)[CH]1[CH](O)[CH](C)[CH](O)[CH](C)C=CC=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c(O)c(C)c(OC)c3C(=O)C(=C[C](C)(O)[CH](O)[CH](C)[CH]1O)C)c2O | InChi: | InChI=1S/C40H53NO14/c1-16-13-12-14-17(2)38(50)41-28-19(4)36(55-23(8)42)24-25(34(28)48)32(46)21(6)35(53-10)26(24)30(44)18(3)15-40(9,52)37(49)22(7)33(47)27(39(51)54-11)31(45)20(5)29(16)43/h12-16,20,22,27,29,31,33,37,43,45-49,52H,1-11H3,(H,41,50)/b13-12-,17-14+,18-15+/t16-,20-,22+,27-,29-,31-,33-,37+,40-/m1/s1 | 定義日: | 2020-03-24 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 |
|
![QSM QSM](https://data.pdbj.org/pdbjplus/data/cc/svg/QSM.svg) | QSM | 表記: | 2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole | 組成式: | C24 H30 N2 O2 | SMILES: | N4CCC(c3cc2c(nc(c1cc(c(OC)cc1)OC)c2C(C)C)cc3)CC4 | InChi: | InChI=1S/C24H30N2O2/c1-15(2)23-19-13-17(16-9-11-25-12-10-16)5-7-20(19)26-24(23)18-6-8-21(27-3)22(14-18)28-4/h5-8,13-16,25-26H,9-12H2,1-4H3 | 定義日: | 2019-12-17 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole |
|
![QZ4 QZ4](https://data.pdbj.org/pdbjplus/data/cc/svg/QZ4.svg) | QZ4 | 表記: | 4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate | 組成式: | C23 H37 F2 N3 O5 | SMILES: | C(CC1CCCCC1)(C(NC(CC2C(=O)NCC2)CO)=O)NC(=O)OC3CCC(CC3)(F)F | InChi: | InChI=1S/C23H37F2N3O5/c24-23(25)9-6-18(7-10-23)33-22(32)28-19(12-15-4-2-1-3-5-15)21(31)27-17(14-29)13-16-8-11-26-20(16)30/h15-19,29H,1-14H2,(H,26,30)(H,27,31)(H,28,32)/t16-,17-,19-/m0/s1 | 定義日: | 2020-01-15 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate |
|
![QZ7 QZ7](https://data.pdbj.org/pdbjplus/data/cc/svg/QZ7.svg) | QZ7 | 表記: | N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | 組成式: | C20 H33 F2 N3 O5 | SMILES: | C1(F)(CCC(CC1)OC(=O)NC(CC(C)C)C(NC(CC2C(=O)NCC2)CO)=O)F | InChi: | InChI=1S/C20H33F2N3O5/c1-12(2)9-16(25-19(29)30-15-3-6-20(21,22)7-4-15)18(28)24-14(11-26)10-13-5-8-23-17(13)27/h12-16,26H,3-11H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t13-,14-,16-/m0/s1 | 定義日: | 2020-01-15 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
|
![QZD QZD](https://data.pdbj.org/pdbjplus/data/cc/svg/QZD.svg) | QZD | 表記: | N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | 組成式: | C20 H35 N3 O7 | SMILES: | C(C(NC(C(CC(C)C)NC(OC1(COCOC1)CC)=O)=O)CO)C2C(=O)NCC2 | InChi: | InChI=1S/C20H35N3O7/c1-4-20(10-28-12-29-11-20)30-19(27)23-16(7-13(2)3)18(26)22-15(9-24)8-14-5-6-21-17(14)25/h13-16,24H,4-12H2,1-3H3,(H,21,25)(H,22,26)(H,23,27)/t14-,15-,16-/m0/s1 | 定義日: | 2020-01-17 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
|
![QZG QZG](https://data.pdbj.org/pdbjplus/data/cc/svg/QZG.svg) | QZG | 表記: | N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide | 組成式: | C23 H41 N3 O5 | SMILES: | C(=O)(NC(CC(C)C)C(NC(CC1C(=O)NCC1)CO)=O)OC2CCC(CC2)C(C)C | InChi: | InChI=1S/C23H41N3O5/c1-14(2)11-20(22(29)25-18(13-27)12-17-9-10-24-21(17)28)26-23(30)31-19-7-5-16(6-8-19)15(3)4/h14-20,27H,5-13H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t16-,17-,18-,19-,20-/m0/s1 | 定義日: | 2020-01-17 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide |
|