![BHQ BHQ](https://data.pdbj.org/pdbjplus/data/cc/svg/BHQ.svg) | BHQ | Name: | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | Formula: | C14 H22 O2 | SMILES: | Oc1cc(c(O)cc1C(C)(C)C)C(C)(C)C | InChi: | InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3 | Synonyms: | 2,5-DI-(TERT-BUTYL)-1,4,BENZOHYDROQUINONE | Definition date: | 2005-07-29 | Last modified: | 2021-03-13 | Identifier: | 2,5-di-tert-butylbenzene-1,4-diol |
|
![BHY BHY](https://data.pdbj.org/pdbjplus/data/cc/svg/BHY.svg) | BHY | Name: | N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dimethanesulfonamide | Formula: | C20 H28 N2 O4 S2 | SMILES: | O=S(=O)(NCC(c2ccc(c1ccc(cc1)C(CNS(=O)(=O)C)C)cc2)C)C | InChi: | InChI=1S/C20H28N2O4S2/c1-15(13-21-27(3,23)24)17-5-9-19(10-6-17)20-11-7-18(8-12-20)16(2)14-22-28(4,25)26/h5-12,15-16,21-22H,13-14H2,1-4H3/t15-,16-/m0/s1 | Synonyms: | (R,R)-N,N-(2,2'-(biphenyl-4-4'-diyl)bis(propane-2,1-diyl))dimethanesulfonamide | Definition date: | 2007-11-12 | Last modified: | 2021-03-13 | Identifier: | N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dimethanesulfonamide |
|
![SMI SMI](https://data.pdbj.org/pdbjplus/data/cc/svg/SMI.svg) | SMI | Name: | SPECTINOMYCIN | Formula: | C14 H26 N2 O8 | SMILES: | O1C3C(OC2(O)C1OC(C)CC2(O)O)C(NC)C(O)C(NC)C3O | InChi: | InChI=1S/C14H26N2O8/c1-5-4-13(19,20)14(21)12(22-5)23-11-9(18)6(15-2)8(17)7(16-3)10(11)24-14/h5-12,15-21H,4H2,1-3H3/t5-,6-,7+,8+,9+,10-,11-,12+,14-/m1/s1 | Synonyms: | (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)hexahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4,4a,7,9(3H,10aH)-pentol | Definition date: | 2009-06-30 | Last modified: | 2021-03-13 | Identifier: | (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)hexahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4,4a,7,9(3H,10aH)-pentol |
|
![SMX SMX](https://data.pdbj.org/pdbjplus/data/cc/svg/SMX.svg) | SMX | Name: | (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | Formula: | C18 H18 N6 O5 S2 | SMILES: | O=C(O)C=2N4C(=O)C(NC(=O)C(O)c1ccccc1)C4SCC=2CSc3nnnn3C | InChi: | InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1 | Synonyms: | CEFAMANDOLE, free form | Definition date: | 2010-09-17 | Last modified: | 2021-03-13 | Identifier: | (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
|
![SNS SNS](https://data.pdbj.org/pdbjplus/data/cc/svg/SNS.svg) | SNS | Name: | 3,6-bis(3-(3'-(S)-fluoropyrrolindino)propionamido)acridine | Formula: | C27 H31 F2 N5 O2 | SMILES: | O=C(Nc4cc3nc2cc(NC(=O)CCN1CCC(F)C1)ccc2cc3cc4)CCN5CCC(F)C5 | InChi: | InChI=1S/C27H31F2N5O2/c28-20-5-9-33(16-20)11-7-26(35)30-22-3-1-18-13-19-2-4-23(15-25(19)32-24(18)14-22)31-27(36)8-12-34-10-6-21(29)17-34/h1-4,13-15,20-21H,5-12,16-17H2,(H,30,35)(H,31,36)/t20-,21-/m0/s1 | Synonyms: | N,N'-acridine-3,6-diylbis{3-[(3S)-3-fluoropyrrolidin-1-yl]propanamide} | Definition date: | 2010-07-27 | Last modified: | 2021-03-13 | Identifier: | N,N'-acridine-3,6-diylbis{3-[(3S)-3-fluoropyrrolidin-1-yl]propanamide} |
|
![BK2 BK2](https://data.pdbj.org/pdbjplus/data/cc/svg/BK2.svg) | BK2 | Name: | 1-tert-butyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C19 H19 N5 | SMILES: | n1c(c2c(nc1)n(nc2c4cc3ccccc3cc4)C(C)(C)C)N | InChi: | InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,1-3H3,(H2,20,21,22) | Synonyms: | 4-Amino-1-tert-butyl-3-(2-naphthyl)pyrazolo[3,4-d]pyrimidine | Definition date: | 2009-07-09 | Last modified: | 2021-03-13 | Identifier: | 1-tert-butyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
|
![SP1 SP1](https://data.pdbj.org/pdbjplus/data/cc/svg/SP1.svg) | SP1 | Name: | 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL | Formula: | C10 H12 N5 O5 P S | SMILES: | S=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O | InChi: | InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21+/m1/s1 | Synonyms: | SP-ADENOSINE-3',5'-CYCLIC-MONOPHOSPHOROTHIOATE | Definition date: | 2002-12-13 | Last modified: | 2021-03-13 | Identifier: | (2S,4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide |
|
![BL6 BL6](https://data.pdbj.org/pdbjplus/data/cc/svg/BL6.svg) | BL6 | Name: | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | Formula: | C18 H16 N2 O2 | SMILES: | O=C2c4c(N=C3N(c1ccccc1)CCC23O)cc(cc4)C | InChi: | InChI=1S/C18H16N2O2/c1-12-7-8-14-15(11-12)19-17-18(22,16(14)21)9-10-20(17)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1 | Synonyms: | S-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | Definition date: | 2008-01-19 | Last modified: | 2021-03-13 | Identifier: | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
|
![BL7 BL7](https://data.pdbj.org/pdbjplus/data/cc/svg/BL7.svg) | BL7 | Name: | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | Formula: | C17 H14 N2 O2 | SMILES: | O=C2c4c(N=C3N(c1ccccc1)CCC23O)cccc4 | InChi: | InChI=1S/C17H14N2O2/c20-15-13-8-4-5-9-14(13)18-16-17(15,21)10-11-19(16)12-6-2-1-3-7-12/h1-9,21H,10-11H2/t17-/m1/s1 | Synonyms: | (S-3a)-3a-hydroxy-1-phenyl-1,2,3,3A-tetrahydro-4H-pyrrol[2,3-B]quinolin-4-one | Definition date: | 2008-01-19 | Last modified: | 2021-03-13 | Identifier: | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
|
![SPJ SPJ](https://data.pdbj.org/pdbjplus/data/cc/svg/SPJ.svg) | SPJ | Name: | (3R,3'R)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine | Formula: | C12 H30 N4 | SMILES: | NC(CCNCCCCNCCC(N)C)C | InChi: | InChI=1S/C12H30N4/c1-11(13)5-9-15-7-3-4-8-16-10-6-12(2)14/h11-12,15-16H,3-10,13-14H2,1-2H3/t11-,12-/m1/s1 | Synonyms: | bis-(3R,3'R)-methyl spermine | Definition date: | 2007-12-19 | Last modified: | 2021-03-13 | Identifier: | (3R,3'R)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine |
|
![SPX SPX](https://data.pdbj.org/pdbjplus/data/cc/svg/SPX.svg) | SPX | Name: | SPHINXOLIDE B | Formula: | C53 H85 N O14 | SMILES: | O=CN(C=CCC(OC)C(C(=O)CCC(C)C(OC)C(C)C1OC(=O)C=CC=C(C)CC(OC)CC2=CC(=O)OC(C(C(OC)CC(OC)C=CC(C)C(O)CC(OC)C=CC1C)C)C2O)C)C | InChi: | InChI=1S/C53H85NO14/c1-33-17-15-19-48(58)67-52(39(7)51(66-14)35(3)22-25-44(56)37(5)46(64-12)18-16-26-54(8)32-55)36(4)21-24-41(61-9)30-45(57)34(2)20-23-42(62-10)31-47(65-13)38(6)53-50(60)40(29-49(59)68-53)28-43(27-33)63-11/h15-17,19-21,23-24,26,29,32,34-39,41-43,45-47,50-53,57,60H,18,22,25,27-28,30-31H2,1-14H3/b19-15-,23-20+,24-21+,26-16+,33-17+/t34-,35-,36-,37-,38+,39-,41-,42+,43+,45-,46+,47-,50-,51-,52-,53-/m0/s1 | Synonyms: | N-((4R,5R,9S,10S,11S,E)-11-((3R,5Z,7Z,11S,12S,13Z,15R,17S,18S,19Z,21S,23S,24R,25S,29S)-17,29-DIHYDROXY-3,15,21,23-TETRAMETHOXY-5,12,18,24-TETRAMETHYL-9,27-DIOXO-10,26-DIOXABICYCLO[23.3.1]NONACOSA-1(28),5,7,13,19-PENTAEN-11-YL)-4,10-DIMETHOXY-5,9-DIMETHYL-6-OXODODEC-1-ENYL)-N-METHYLFORMAMIDE | Definition date: | 2005-08-30 | Last modified: | 2021-03-13 | Identifier: | N-{(1E,4R,5R,9S,10S,11S)-11-[(3R,5E,7Z,11S,12S,13E,15R,17S,18S,19E,21S,23S,24R,25S,29S)-17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl}-N-methylformamide |
|
![SPZ SPZ](https://data.pdbj.org/pdbjplus/data/cc/svg/SPZ.svg) | SPZ | Name: | (3S,3'S)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine | Formula: | C12 H30 N4 | SMILES: | NC(CCNCCCCNCCC(N)C)C | InChi: | InChI=1S/C12H30N4/c1-11(13)5-9-15-7-3-4-8-16-10-6-12(2)14/h11-12,15-16H,3-10,13-14H2,1-2H3/t11-,12-/m0/s1 | Synonyms: | bis-(3S,3'S)-methyl spermine | Definition date: | 2007-12-19 | Last modified: | 2021-03-13 | Identifier: | (3S,3'S)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine |
|
![SQA SQA](https://data.pdbj.org/pdbjplus/data/cc/svg/SQA.svg) | SQA | Name: | 2-AZASQUALENE | Formula: | C29 H51 N | SMILES: | C(=C(/CCCN(C)C)C)CCC(=C/CCC=C(/C)CCC=C(/C)CCC=C(/C)C)/C | InChi: | InChI=1S/C29H51N/c1-25(2)15-11-18-28(5)21-12-19-26(3)16-9-10-17-27(4)20-13-22-29(6)23-14-24-30(7)8/h15-17,21-22H,9-14,18-20,23-24H2,1-8H3/b26-16+,27-17+,28-21+,29-22+ | Synonyms: | (4E,8E,12Z,16Z)-N,N,4,8,13,17,21-HEPTAMETHYLDOCOSA-4,8,12,16,20-PENTAEN-1-AMINE | Definition date: | 2003-08-27 | Last modified: | 2021-03-13 | Identifier: | (4E,8E,12E,16E)-N,N,4,8,13,17,21-heptamethyldocosa-4,8,12,16,20-pentaen-1-amine |
|
![BMF BMF](https://data.pdbj.org/pdbjplus/data/cc/svg/BMF.svg) | BMF | Name: | Bromosporine | Formula: | C17 H20 N6 O4 S | SMILES: | c1(ccc(C)c(c1)NS(=O)(C)=O)c2nn3c(c(NC(OCC)=O)c2)nnc3C | InChi: | InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24) | Synonyms: | ethyl (3-methyl-6-{4-methyl-3-[(methylsulfonyl)amino]phenyl}[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate | Definition date: | 2015-06-19 | Last modified: | 2021-03-13 | Release date: | 2015-07-07 | Identifier: | ethyl (3-methyl-6-{4-methyl-3-[(methylsulfonyl)amino]phenyl}[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate |
|
![BN2 BN2](https://data.pdbj.org/pdbjplus/data/cc/svg/BN2.svg) | BN2 | Name: | 7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID | Formula: | C21 H21 Cl3 N2 O5 | SMILES: | Clc1cc(cc(Cl)c1OCCCCCCC(=O)O)NC(=O)NC(=O)c2ccccc2Cl | InChi: | InChI=1S/C21H21Cl3N2O5/c22-15-8-5-4-7-14(15)20(29)26-21(30)25-13-11-16(23)19(17(24)12-13)31-10-6-2-1-3-9-18(27)28/h4-5,7-8,11-12H,1-3,6,9-10H2,(H,27,28)(H2,25,26,29,30) | Synonyms: | 7-{2,6-DICHLORO-4-[3-(2-CHLORO-BENZOYL)-UREIDO]-PHENOXY}-HEPTANOIC ACID | Definition date: | 2004-12-14 | Last modified: | 2021-03-13 | Identifier: | 7-[2,6-dichloro-4-({[(2-chlorophenyl)carbonyl]carbamoyl}amino)phenoxy]heptanoic acid |
|
![SQZ SQZ](https://data.pdbj.org/pdbjplus/data/cc/svg/SQZ.svg) | SQZ | Name: | 5-[1-[(1S)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole | Formula: | C24 H16 F N5 O | SMILES: | C[CH](n1nnc2cnc3ccc(cc3c12)c4ccc5ocnc5c4)c6ccc(F)cc6 | InChi: | InChI=1S/C24H16FN5O/c1-14(15-2-6-18(25)7-3-15)30-24-19-10-16(4-8-20(19)26-12-22(24)28-29-30)17-5-9-23-21(11-17)27-13-31-23/h2-14H,1H3/t14-/m0/s1 | Synonyms: | (S)-5-(1-(1-(4-fluorophenyl)ethyl)-1H-[1,2,3]triazolo[4,5-c]quinolin-8-yl)benzo[d]oxazole | Definition date: | 2017-03-08 | Last modified: | 2021-03-13 | Release date: | 2017-08-16 | Identifier: | 5-[1-[(1~{S})-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole |
|
![BN4 BN4](https://data.pdbj.org/pdbjplus/data/cc/svg/BN4.svg) | BN4 | Name: | 4-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2,3-DIMETHYLPHENOXY]BUTANOIC ACID | Formula: | C20 H20 Cl2 N2 O5 | SMILES: | O=C(c1ccc(Cl)cc1Cl)NC(=O)Nc2ccc(OCCCC(=O)O)c(c2C)C | InChi: | InChI=1S/C20H20Cl2N2O5/c1-11-12(2)17(29-9-3-4-18(25)26)8-7-16(11)23-20(28)24-19(27)14-6-5-13(21)10-15(14)22/h5-8,10H,3-4,9H2,1-2H3,(H,25,26)(H2,23,24,27,28) | Synonyms: | 4-{4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2,3-DIMETHYL-PHENOXY}-BUTYRIC ACID | Definition date: | 2004-12-10 | Last modified: | 2021-03-13 | Identifier: | 4-[4-({[(2,4-dichlorophenyl)carbonyl]carbamoyl}amino)-2,3-dimethylphenoxy]butanoic acid |
|
![G2V G2V](https://data.pdbj.org/pdbjplus/data/cc/svg/G2V.svg) | G2V | Name: | 6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline | Formula: | C15 H17 N3 | SMILES: | C1CN(c2c1cc(cc2)c4cn3c(CCC3)n4)C | InChi: | InChI=1S/C15H17N3/c1-17-8-6-12-9-11(4-5-14(12)17)13-10-18-7-2-3-15(18)16-13/h4-5,9-10H,2-3,6-8H2,1H3 | Synonyms: | 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-2,3-dihydro-1H-indole | Definition date: | 2018-05-02 | Last modified: | 2021-03-13 | Release date: | 2018-09-05 | Identifier: | 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-2,3-dihydro-1H-indole |
|
![G3X G3X](https://data.pdbj.org/pdbjplus/data/cc/svg/G3X.svg) | G3X | Name: | (4aS,6R,8aS)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol | Formula: | C24 H34 N2 O3 | SMILES: | OC2C=CC41c3c(ccc(OC)c3OC1C2)CN(CC4)CCCN5CCCCC5 | InChi: | InChI=1S/C24H34N2O3/c1-28-20-7-6-18-17-26(14-5-13-25-11-3-2-4-12-25)15-10-24-9-8-19(27)16-21(24)29-23(20)22(18)24/h6-9,19,21,27H,2-5,10-17H2,1H3/t19-,21-,24-/m0/s1 | Synonyms: | (4aS,6R,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-[3-(1-piperidinyl)propyl]-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-ol | Definition date: | 2009-07-10 | Last modified: | 2021-03-13 | Identifier: | (4aS,6R,8aS)-3-methoxy-11-[3-(piperidin-1-yl)propyl]-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol (non-preferred name) |
|
![STD STD](https://data.pdbj.org/pdbjplus/data/cc/svg/STD.svg) | STD | Name: | STREPTOLYDIGIN | Formula: | C32 H44 N2 O9 | SMILES: | O=C(NC)C(C)C2C(=O)/C(C(=O)N2C1OC(C)C(O)CC1)=C(O)/C=C/C(=C/C(C5OC4(OC(C=CC34OC3)C5C)C)C)C | InChi: | InChI=1S/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14+,25-22+/t17-,18+,19+,20+,21+,23-,24+,26+,28-,31-,32-/m1/s1 | Synonyms: | 2-PYRROLIDINEACETAMIDE | Definition date: | 2005-08-01 | Last modified: | 2021-03-13 | Identifier: | (2S)-2-{(2S,4E)-4-{(2E,4E,6R)-6-[(1R,2R,5R,6S,7R)-1,6-dimethylspiro[8,9-dioxabicyclo[3.3.1]non-3-ene-2,2'-oxiran]-7-yl]-1-hydroxy-4-methylhepta-2,4-dien-1-ylidene}-1-[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3,5-dioxopyrrolidin-2-yl}-N-methylpropanamide |
|
![SUB SUB](https://data.pdbj.org/pdbjplus/data/cc/svg/SUB.svg) | SUB | Name: | 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PROPIONIC ACID ETHYL ESTER | Formula: | C23 H28 N2 O5 S2 | SMILES: | O=S(=O)(N2C(C(=O)NC(C(=O)OCC)Cc1ccccc1)CSCC2)c3ccc(cc3)C | InChi: | InChI=1S/C23H28N2O5S2/c1-3-30-23(27)20(15-18-7-5-4-6-8-18)24-22(26)21-16-31-14-13-25(21)32(28,29)19-11-9-17(2)10-12-19/h4-12,20-21H,3,13-16H2,1-2H3,(H,24,26)/t20-,21-/m0/s1 | Synonyms: | (3R)-4-(P-TOLUENESULFONYL)-1,4-THIAZANE-3-CARBOXYLIC ACID-L-PHENYLALANINE ETHYL ESTER | Definition date: | 2001-10-18 | Last modified: | 2021-03-13 | Identifier: | ethyl N-({(3R)-4-[(4-methylphenyl)sulfonyl]thiomorpholin-3-yl}carbonyl)-L-phenylalaninate |
|
![SV6 SV6](https://data.pdbj.org/pdbjplus/data/cc/svg/SV6.svg) | SV6 | Name: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide | Formula: | C36 H55 N7 O6 | SMILES: | O=C(NC1CC1)C(O)C(NC(=O)C4N(C(=O)C(NC(=O)C(NC(=O)c2nccnc2)C3CCCCC3)C(C)(C)C)CC5CCCC45)CCC | InChi: | InChI=1S/C36H55N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-30,44H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,29+,30+/m0/s1 | Synonyms: | TELAPREVIR, bound form | Definition date: | 2011-08-08 | Last modified: | 2021-03-13 | Release date: | 2012-08-31 | Identifier: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide (non-preferred name) |
|
![G87 G87](https://data.pdbj.org/pdbjplus/data/cc/svg/G87.svg) | G87 | Name: | Metosulam | Formula: | C14 H13 Cl2 N5 O4 S | SMILES: | c2(nc1n(c(cc(OC)n1)OC)n2)S(Nc3c(c(C)ccc3Cl)Cl)(=O)=O | InChi: | InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3 | Synonyms: | N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide | Definition date: | 2018-05-14 | Last modified: | 2021-03-13 | Release date: | 2018-09-26 | Identifier: | N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide |
|
![SXC SXC](https://data.pdbj.org/pdbjplus/data/cc/svg/SXC.svg) | SXC | Name: | bromo(4-{3-[(R)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}-2,6-bis[(methylsulfanyl-kappaS)methyl]phenyl-kappaC~1~)palladium(2+) | Formula: | C21 H27 Br N O5 P Pd S2 | SMILES: | [O-][N+](=O)c4ccc(OP(=O)(OCC)CCCc1cc2c3c(c1)C[S+](C)[Pd]3(Br)[S+](C2)C)cc4 | InChi: | InChI=1S/C21H27NO5PS2.BrH.Pd/c1-4-26-28(25,27-21-9-7-20(8-10-21)22(23)24)11-5-6-17-12-18(15-29-2)14-19(13-17)16-30-3 | Synonyms: | ethyl 4-nitrophenyl P-[3-(4-(bromopallado)-1,3-bis[(methylthio)methyl]-phenyl)propyl]phosphonate | Definition date: | 2008-10-08 | Last modified: | 2021-03-13 | Identifier: | bromo(4-{3-[(R)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}-2,6-bis[(methylsulfanyl-kappaS)methyl]phenyl-kappaC~1~)palladium(2+) |
|
![SXM SXM](https://data.pdbj.org/pdbjplus/data/cc/svg/SXM.svg) | SXM | Name: | 3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid | Formula: | C14 H25 N2 O10 P S | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CC(=O)O | InChi: | InChI=1S/C14H25N2O10PS/c1-14(2,8-26-27(23,24)25)12(21)13(22)16-4-3-9(17)15-5-6-28-11(20)7-10(18)19/h12,21H,3-8H2,1-2H3,(H,15,17)(H,16,22)(H,18,19)(H2,23,24,25)/t12-/m1/s1 | Synonyms: | THIOMALONIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER | Definition date: | 2009-03-30 | Last modified: | 2021-03-13 | Identifier: | 3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid |
|