![ZEP ZEP](https://data.pdbj.org/pdbjplus/data/cc/svg/ZEP.svg) | ZEP | Name: | N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide | Formula: | C20 H21 F N2 O2 S2 | SMILES: | CCN(CC)S(=O)(=O)c1ccc(cc1)c1csc(Cc2ccccc2F)n1 | InChi: | InChI=1S/C20H21FN2O2S2/c1-3-23(4-2)27(24,25)17-11-9-15(10-12-17)19-14-26-20(22-19)13-16-7-5-6-8-18(16)21/h5-12,14H,3-4,13H2,1-2H3 | Definition date: | 2021-04-15 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide |
|
![ZM1 ZM1](https://data.pdbj.org/pdbjplus/data/cc/svg/ZM1.svg) | ZM1 | Name: | 2-acetamido-2,5-dideoxy-6-O-phosphono-D-lyxo-hexose | Formula: | C8 H16 N O8 P | SMILES: | O=P(O)(O)OCCC(O)C(O)C(C=O)NC(C)=O | InChi: | InChI=1S/C8H16NO8P/c1-5(11)9-6(4-10)8(13)7(12)2-3-17-18(14,15)16/h4,6-8,12-13H,2-3H2,1H3,(H,9,11)(H2,14,15,16)/t6-,7-,8-/m1/s1 | Definition date: | 2021-05-06 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | 2-acetamido-2,5-dideoxy-6-O-phosphono-D-lyxo-hexose |
|
![I6W I6W](https://data.pdbj.org/pdbjplus/data/cc/svg/I6W.svg) | I6W | Name: | ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate | Formula: | C14 H12 N2 O3 | SMILES: | O=C(OCC)c1cnc(cc1)c1ncc(C=O)cc1 | InChi: | InChI=1S/C14H12N2O3/c1-2-19-14(18)11-4-6-13(16-8-11)12-5-3-10(9-17)7-15-12/h3-9H,2H2,1H3 | Definition date: | 2022-01-20 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate |
|
![I77 I77](https://data.pdbj.org/pdbjplus/data/cc/svg/I77.svg) | I77 | Name: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide | Formula: | C12 H11 N5 O2 | SMILES: | NC(=O)c1cnc(cc1)c1ccc(cn1)C(=O)NN | InChi: | InChI=1S/C12H11N5O2/c13-11(18)7-1-3-9(15-5-7)10-4-2-8(6-16-10)12(19)17-14/h1-6H,14H2,(H2,13,18)(H,17,19) | Definition date: | 2022-01-20 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide |
|
![I7E I7E](https://data.pdbj.org/pdbjplus/data/cc/svg/I7E.svg) | I7E | Name: | tert-butylbenzene | Formula: | C10 H14 | SMILES: | CC(C)(C)c1ccccc1 | InChi: | InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3 | Definition date: | 2022-01-20 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | tert-butylbenzene |
|
![85R 85R](https://data.pdbj.org/pdbjplus/data/cc/svg/85R.svg) | 85R | Name: | [(2~{R})-2-hexadecanoyloxy-3-[oxidanyl-[(2~{S},3~{S},5~{R},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate | Formula: | C41 H79 O13 P | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33-,36-,37-,38+,39+,40+,41-/m1/s1 | Definition date: | 2022-03-02 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | [(2~{R})-2-hexadecanoyloxy-3-[oxidanyl-[(2~{S},3~{S},5~{R},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate |
|
![0I3 0I3](https://data.pdbj.org/pdbjplus/data/cc/svg/0I3.svg) | 0I3 | Name: | Andilesin C | Formula: | C25 H32 O5 | SMILES: | CC1(C)OC(=O)C=C[C]2(C)[CH]1CC[C]34C[C]5(C)C[CH]6C(=O)OC[C]36[C](C)(C[CH]24)C5=O | InChi: | InChI=1S/C25H32O5/c1-20(2)15-6-9-24-12-21(3)10-14-18(27)29-13-25(14,24)23(5,19(21)28)11-16(24)22(15,4)8-7-17(26)30-20/h7-8,14-16H,6,9-13H2,1-5H3/t14-,15+,16+,21-,22+,23+,24+,25-/m1/s1 | Definition date: | 2021-06-09 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 |
|
![0IP 0IP](https://data.pdbj.org/pdbjplus/data/cc/svg/0IP.svg) | 0IP | Name: | Terretonin C | Formula: | C24 H30 O7 | SMILES: | C[CH]1OC(=O)[CH]2[C](C)(C(=C)C[C]3(O)[C]4(C)CCC(=O)C(C)(C)C4=C(O)C(=O)[C]23C)C1=O | InChi: | InChI=1S/C24H30O7/c1-11-10-24(30)21(5)9-8-13(25)20(3,4)15(21)14(26)18(28)23(24,7)16-19(29)31-12(2)17(27)22(11,16)6/h12,16,26,30H,1,8-10H2,2-7H3/t12-,16-,21+,22+,23-,24+/m0/s1 | Definition date: | 2021-06-09 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | (2~{S},4~{a}~{S},4~{b}~{R},10~{a}~{R},10~{b}~{R},12~{a}~{S})-2,4~{b},7,7,10~{a},12~{a}-hexamethyl-12-methylidene-6,10~{b}-bis(oxidanyl)-4~{a},9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone |
|
![RLK RLK](https://data.pdbj.org/pdbjplus/data/cc/svg/RLK.svg) | RLK | Name: | 2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide | Formula: | C19 H27 Br N6 O4 S | SMILES: | CN(C)CCC[S](=O)(=O)N1CCN(CC1)c2ccc(Br)c(NC(=O)c3coc(N)n3)c2 | InChi: | InChI=1S/C19H27BrN6O4S/c1-24(2)6-3-11-31(28,29)26-9-7-25(8-10-26)14-4-5-15(20)16(12-14)22-18(27)17-13-30-19(21)23-17/h4-5,12-13H,3,6-11H2,1-2H3,(H2,21,23)(H,22,27) | Definition date: | 2020-10-06 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | 2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide |
|
![RMK RMK](https://data.pdbj.org/pdbjplus/data/cc/svg/RMK.svg) | RMK | Name: | ~{N}-[(2~{S})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide | Formula: | C27 H34 N6 O2 | SMILES: | CC(C)n1nccc1C(=O)N[CH](C(C2CC2)C3CC3)C(=O)Nc4ccc(cc4)c5c(C)[nH]nc5C | InChi: | InChI=1S/C27H34N6O2/c1-15(2)33-22(13-14-28-33)26(34)30-25(24(19-5-6-19)20-7-8-20)27(35)29-21-11-9-18(10-12-21)23-16(3)31-32-17(23)4/h9-15,19-20,24-25H,5-8H2,1-4H3,(H,29,35)(H,30,34)(H,31,32)/t25-/m0/s1 | Definition date: | 2020-10-09 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | ~{N}-[(2~{S})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide |
|
![RMQ RMQ](https://data.pdbj.org/pdbjplus/data/cc/svg/RMQ.svg) | RMQ | Name: | (3~{R})-4-[4-[[(2~{S})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{S})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid | Formula: | C41 H50 Cl F2 N5 O9 | SMILES: | CC(C)[CH](NC(=O)COCCNC(=O)OC(C)(C)C)C(=O)N[CH](CC(O)=O)Cc1ccc(NC(=O)[CH](Cc2ccccc2Cl)NC(=O)C(F)(F)c3ccccc3)cc1 | InChi: | InChI=1S/C41H50ClF2N5O9/c1-25(2)35(49-33(50)24-57-20-19-45-39(56)58-40(3,4)5)37(54)47-30(23-34(51)52)21-26-15-17-29(18-16-26)46-36(53)32(22-27-11-9-10-14-31(27)42)48-38(55)41(43,44)28-12-7-6-8-13-28/h6-18,25,30,32,35H,19-24H2,1-5H3,(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H,49,50)(H,51,52)/t30-,32+,35+/m1/s1 | Definition date: | 2020-10-09 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | (3~{R})-4-[4-[[(2~{S})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{S})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid |
|
![K71 K71](https://data.pdbj.org/pdbjplus/data/cc/svg/K71.svg) | K71 | Name: | 3-deoxy-4-O-methyl-alpha-D-manno-oct-2-ulopyranosonic acid | Formula: | C9 H16 O8 | SMILES: | COC1CC(O)(C(O)=O)OC(C1O)C(CO)O | InChi: | InChI=1S/C9H16O8/c1-16-5-2-9(15,8(13)14)17-7(6(5)12)4(11)3-10/h4-7,10-12,15H,2-3H2,1H3,(H,13,14)/t4-,5-,6-,7-,9-/m1/s1 | Definition date: | 2018-11-05 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | 3-deoxy-4-O-methyl-alpha-D-manno-oct-2-ulopyranosonic acid |
|
![8QY 8QY](https://data.pdbj.org/pdbjplus/data/cc/svg/8QY.svg) | 8QY | Name: | N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-N'-[(2S)-1-(thiophen-3-yl)propan-2-yl]urea | Formula: | C19 H27 N3 O2 S | SMILES: | Oc1ccc(cc1)CC(CNC(=O)NC(C)Cc1ccsc1)N(C)C | InChi: | InChI=1S/C19H27N3O2S/c1-14(10-16-8-9-25-13-16)21-19(24)20-12-17(22(2)3)11-15-4-6-18(23)7-5-15/h4-9,13-14,17,23H,10-12H2,1-3H3,(H2,20,21,24)/t14-,17-/m0/s1 | Definition date: | 2021-09-27 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-N'-[(2S)-1-(thiophen-3-yl)propan-2-yl]urea |
|
![8RI 8RI](https://data.pdbj.org/pdbjplus/data/cc/svg/8RI.svg) | 8RI | Name: | (2E)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(naphthalen-1-yl)prop-2-enamide | Formula: | C24 H26 N2 O2 | SMILES: | Oc1ccc(CC(CNC(=O)/C=C/c2cccc3ccccc32)N(C)C)cc1 | InChi: | InChI=1S/C24H26N2O2/c1-26(2)21(16-18-10-13-22(27)14-11-18)17-25-24(28)15-12-20-8-5-7-19-6-3-4-9-23(19)20/h3-15,21,27H,16-17H2,1-2H3,(H,25,28)/b15-12+/t21-/m0/s1 | Definition date: | 2021-09-29 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | (2E)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(naphthalen-1-yl)prop-2-enamide |
|
![J6L J6L](https://data.pdbj.org/pdbjplus/data/cc/svg/J6L.svg) | J6L | Name: | 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one | Formula: | C23 H22 O6 | SMILES: | COc1cc(OC)c(cc1OC)C2=COc3c(ccc4OC(C)(C)C=Cc34)C2=O | InChi: | InChI=1S/C23H22O6/c1-23(2)9-8-13-17(29-23)7-6-14-21(24)16(12-28-22(13)14)15-10-19(26-4)20(27-5)11-18(15)25-3/h6-12H,1-5H3 | Definition date: | 2021-04-15 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one |
|
![J79 J79](https://data.pdbj.org/pdbjplus/data/cc/svg/J79.svg) | J79 | Name: | (2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid | Formula: | C11 H20 N O11 P | SMILES: | C[CH](O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O)[CH]1NC(C)=O)C(O)=O | InChi: | InChI=1S/C11H20NO11P/c1-4(10(15)16)22-9-7(12-5(2)13)11(17)23-6(8(9)14)3-21-24(18,19)20/h4,6-9,11,14,17H,3H2,1-2H3,(H,12,13)(H,15,16)(H2,18,19,20)/t4-,6-,7-,8-,9-,11-/m1/s1 | Definition date: | 2021-04-19 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | (2~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid |
|
![J7U J7U](https://data.pdbj.org/pdbjplus/data/cc/svg/J7U.svg) | J7U | Name: | chromium-5,10,15,20-tetraphenylporphyrin | Formula: | C44 H28 Cr N4 | SMILES: | [Cr]1N2C3=C(c4ccccc4)C5=NC(=C(c6ccccc6)c7ccc(n17)C(=C8C=CC(=N8)C(=C2C=C3)c9ccccc9)c%10ccccc%10)C=C5 | InChi: | InChI=1S/C44H28N4.Cr/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36 | Definition date: | 2021-04-21 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 |
|
![J7X J7X](https://data.pdbj.org/pdbjplus/data/cc/svg/J7X.svg) | J7X | Name: | Mn-5,10,15,20-Tetraphenylporphyrin | Formula: | C44 H28 Mn N4 | SMILES: | [Mn]1N2C3=C(c4ccccc4)C5=NC(=C(c6ccccc6)c7ccc(n17)C(=C8C=CC(=N8)C(=C2C=C3)c9ccccc9)c%10ccccc%10)C=C5 | InChi: | InChI=1S/C44H28N4.Mn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36 | Definition date: | 2021-04-21 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 |
|
![J83 J83](https://data.pdbj.org/pdbjplus/data/cc/svg/J83.svg) | J83 | Name: | Co-5,10,15,20-Tetraphenylporphyrin | Formula: | C44 H28 Co N4 | SMILES: | [Co]1n2c3ccc2C(=C4C=CC(=N4)C(=C5C=CC(=C(c6ccccc6)C7=NC(=C3c8ccccc8)C=C7)N15)c9ccccc9)c%10ccccc%10 | InChi: | InChI=1S/C44H28N4.Co/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36 | Definition date: | 2021-04-22 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 |
|
![JAU JAU](https://data.pdbj.org/pdbjplus/data/cc/svg/JAU.svg) | JAU | Name: | 5-chloranyl-N2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine | Formula: | C28 H36 Cl2 N7 O P | SMILES: | CN1CCN(CC1)C2CCN(CC2)c3ccc(Nc4ncc(Cl)c(Nc5ccccc5[P](C)(C)=O)n4)cc3Cl | InChi: | InChI=1S/C28H36Cl2N7OP/c1-35-14-16-36(17-15-35)21-10-12-37(13-11-21)25-9-8-20(18-22(25)29)32-28-31-19-23(30)27(34-28)33-24-6-4-5-7-26(24)39(2,3)38/h4-9,18-19,21H,10-17H2,1-3H3,(H2,31,32,33,34) | Definition date: | 2021-05-09 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | 5-chloranyl-~{N}2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine |
|
![V3H V3H](https://data.pdbj.org/pdbjplus/data/cc/svg/V3H.svg) | V3H | Name: | (2R,4S)-2-[(1R)-2-butoxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylic acid | Formula: | C23 H30 N3 O6 S | SMILES: | CCCCOC(=O)[CH](NC(=O)c1c(C)onc1c2ccccc2)[CH]3[NH2+][CH](C(O)=O)C(C)(C)S3 | InChi: | InChI=1S/C23H29N3O6S/c1-5-6-12-31-22(30)17(20-25-18(21(28)29)23(3,4)33-20)24-19(27)15-13(2)32-26-16(15)14-10-8-7-9-11-14/h7-11,17-18,20,25H,5-6,12H2,1-4H3,(H,24,27)(H,28,29)/p+1/t17-,18-,20+/m0/s1 | Synonyms: | Hydrolyzed Oxacillin | Definition date: | 2021-04-09 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | (2~{R},4~{S})-2-[(1~{R})-2-butoxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylic acid |
|
![V4T V4T](https://data.pdbj.org/pdbjplus/data/cc/svg/V4T.svg) | V4T | Name: | 1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2 | Formula: | C24 H21 Cl F2 N4 O3 | SMILES: | C[CH]1CN2[CH](CCOc3c(Cl)c(c(F)c4ncnc2c34)c5c(O)cccc5F)CN1C(=O)C=C | InChi: | InChI=1S/C24H21ClF2N4O3/c1-3-16(33)30-10-13-7-8-34-23-19-22(28-11-29-24(19)31(13)9-12(30)2)21(27)18(20(23)25)17-14(26)5-4-6-15(17)32/h3-6,11-13,32H,1,7-10H2,2H3/t12-,13+/m1/s1 | Synonyms: | 146250992 | Definition date: | 2021-04-12 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 |
|
![V52 V52](https://data.pdbj.org/pdbjplus/data/cc/svg/V52.svg) | V52 | Name: | 1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one | Formula: | C24 H23 Cl N6 O2 | SMILES: | CCC(=O)N1CCN2[CH](COc3c(Cl)c(cc4ncnc2c34)c5c(C)ccc6n[nH]cc56)C1 | InChi: | InChI=1S/C24H23ClN6O2/c1-3-19(32)30-6-7-31-14(10-30)11-33-23-21-18(26-12-27-24(21)31)8-15(22(23)25)20-13(2)4-5-17-16(20)9-28-29-17/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3,(H,28,29)/t14-/m0/s1 | Definition date: | 2021-04-14 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 |
|
![V7K V7K](https://data.pdbj.org/pdbjplus/data/cc/svg/V7K.svg) | V7K | Name: | (2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid | Formula: | C16 H18 N6 O9 S | SMILES: | N[CH](CCC(=O)N[CH](CSc1ccc(c2nonc12)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O | InChi: | InChI=1S/C16H18N6O9S/c17-7(16(27)28)1-4-11(23)19-8(15(26)18-5-12(24)25)6-32-10-3-2-9(22(29)30)13-14(10)21-31-20-13/h2-3,7-8H,1,4-6,17H2,(H,18,26)(H,19,23)(H,24,25)(H,27,28)/t7-,8-/m0/s1 | Definition date: | 2021-04-23 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | (2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid |
|
![V8H V8H](https://data.pdbj.org/pdbjplus/data/cc/svg/V8H.svg) | V8H | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Formula: | C16 H26 N2 O15 P2 | SMILES: | NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH](O)[CH](O)[CH]3O)[CH](O)[CH]2O | InChi: | InChI=1S/C16H26N2O15P2/c17-14(23)7-2-1-3-18(4-7)15-12(21)10(19)8(31-15)5-29-34(25,26)33-35(27,28)30-6-9-11(20)13(22)16(24)32-9/h1,3-4,8-13,15-16,19-22,24H,2,5-6H2,(H2,17,23)(H,25,26)(H,27,28)/t8-,9-,10-,11-,12-,13-,15-,16-/m1/s1 | Definition date: | 2021-04-28 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
|