![O42 O42](https://data.pdbj.org/pdbjplus/data/cc/svg/O42.svg) | O42 | Name: | 4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide | Formula: | C18 H19 N3 O4 S | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccccc3 | InChi: | InChI=1S/C18H19N3O4S/c19-26(24,25)16-8-6-15(7-9-16)18(23)21-12-10-20(11-13-21)17(22)14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,19,24,25) | Definition date: | 2020-01-28 | Last modified: | 2020-05-29 | Release date: | 2020-06-03 | Identifier: | 4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide |
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![TBJ TBJ](https://data.pdbj.org/pdbjplus/data/cc/svg/TBJ.svg) | TBJ | Name: | N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea | Formula: | C11 H20 N2 O2 | SMILES: | C2C(NC(NCC1CCCO1)=O)CCC2 | InChi: | InChI=1S/C11H20N2O2/c14-11(13-9-4-1-2-5-9)12-8-10-6-3-7-15-10/h9-10H,1-8H2,(H2,12,13,14)/t10-/m1/s1 | Definition date: | 2020-03-19 | Last modified: | 2020-05-29 | Release date: | 2020-06-03 | Identifier: | N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea |
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![SY4 SY4](https://data.pdbj.org/pdbjplus/data/cc/svg/SY4.svg) | SY4 | Name: | ~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide | Formula: | C9 H12 F2 N2 O2 S | SMILES: | CCC[S](=O)(=O)Nc1cc(N)c(F)cc1F | InChi: | InChI=1S/C9H12F2N2O2S/c1-2-3-16(14,15)13-9-5-8(12)6(10)4-7(9)11/h4-5,13H,2-3,12H2,1H3 | Definition date: | 2020-03-13 | Last modified: | 2020-05-29 | Release date: | 2020-06-03 | Identifier: | ~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide |
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![SY7 SY7](https://data.pdbj.org/pdbjplus/data/cc/svg/SY7.svg) | SY7 | Name: | 2-methoxy-4-[[(4~{S},5~{S})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine | Formula: | C28 H30 N6 O4 | SMILES: | COc1cc(CN2[CH](N[CH]([CH]2c3ccnc(OC)c3)c4ccnc(OC)c4)c5ccnc(OC)c5)ccn1 | InChi: | InChI=1S/C28H30N6O4/c1-35-22-13-18(5-9-29-22)17-34-27(20-7-11-31-24(15-20)37-3)26(19-6-10-30-23(14-19)36-2)33-28(34)21-8-12-32-25(16-21)38-4/h5-16,26-28,33H,17H2,1-4H3/t26-,27-,28-/m0/s1 | Definition date: | 2020-03-13 | Last modified: | 2020-05-29 | Release date: | 2020-06-03 | Identifier: | 2-methoxy-4-[[(4~{S},5~{S})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine |
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![SYA SYA](https://data.pdbj.org/pdbjplus/data/cc/svg/SYA.svg) | SYA | Name: | 2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid | Formula: | C8 H5 F3 O3 | SMILES: | COc1c(F)c(F)cc(C(O)=O)c1F | InChi: | InChI=1S/C8H5F3O3/c1-14-7-5(10)3(8(12)13)2-4(9)6(7)11/h2H,1H3,(H,12,13) | Definition date: | 2020-03-13 | Last modified: | 2020-05-29 | Release date: | 2020-06-03 | Identifier: | 2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid |
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![SYJ SYJ](https://data.pdbj.org/pdbjplus/data/cc/svg/SYJ.svg) | SYJ | Name: | 2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide | Formula: | C11 H10 F N O3 S | SMILES: | Fc1ccccc1[S](=O)(=O)NCc2occc2 | InChi: | InChI=1S/C11H10FNO3S/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-7,13H,8H2 | Definition date: | 2020-03-13 | Last modified: | 2020-05-29 | Release date: | 2020-06-03 | Identifier: | 2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide |
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![SZA SZA](https://data.pdbj.org/pdbjplus/data/cc/svg/SZA.svg) | SZA | Name: | ~{N}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide | Formula: | C12 H12 N2 O S | SMILES: | O=C(NCCc1sccc1)c2ccncc2 | InChi: | InChI=1S/C12H12N2OS/c15-12(10-3-6-13-7-4-10)14-8-5-11-2-1-9-16-11/h1-4,6-7,9H,5,8H2,(H,14,15) | Definition date: | 2020-03-13 | Last modified: | 2020-05-29 | Release date: | 2020-06-03 | Identifier: | ~{N}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide |
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![U0A U0A](https://data.pdbj.org/pdbjplus/data/cc/svg/U0A.svg) | U0A | Name: | 11-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide | Formula: | C22 H19 N3 O4 S2 | SMILES: | c14c(cc(cc1)C(=O)NCCc2ccc(cc2)S(N)(=O)=O)NC(c3ccccc3S4)=O | InChi: | InChI=1S/C22H19N3O4S2/c23-31(28,29)16-8-5-14(6-9-16)11-12-24-21(26)15-7-10-20-18(13-15)25-22(27)17-3-1-2-4-19(17)30-20/h1-10,13H,11-12H2,(H,24,26)(H,25,27)(H2,23,28,29) | Definition date: | 2020-04-06 | Last modified: | 2020-05-29 | Release date: | 2020-06-03 | Identifier: | 11-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
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![U64 U64](https://data.pdbj.org/pdbjplus/data/cc/svg/U64.svg) | U64 | Name: | 6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile | Formula: | C25 H23 F2 N5 O2 S | SMILES: | c4(cc(C1(C)C2C(SC(=N1)N)(C2)C(=O)N3CCOCC3)c(F)cc4)[C@H]=C(F)c5ccc(cn5)C#N | InChi: | InChI=1S/C25H23F2N5O2S/c1-24(21-12-25(21,35-23(29)31-24)22(33)32-6-8-34-9-7-32)17-10-15(2-4-18(17)26)11-19(27)20-5-3-16(13-28)14-30-20/h2-5,10-11,14,21H,6-9,12H2,1H3,(H2,29,31)/b19-11-/t21-,24+,25-/m0/s1 | Definition date: | 2020-04-27 | Last modified: | 2020-05-29 | Release date: | 2020-06-03 | Identifier: | 6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile |
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![CMP CMP](https://data.pdbj.org/pdbjplus/data/cc/svg/CMP.svg) | CMP | Name: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE | Formula: | C10 H12 N5 O6 P | SMILES: | O=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O | InChi: | InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | Synonyms: | CYCLIC AMP | Definition date: | 1999-07-08 | Last modified: | 2020-05-28 | Identifier: | (2R,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-oxide |
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![INL INL](https://data.pdbj.org/pdbjplus/data/cc/svg/INL.svg) | INL | Name: | 6-[N-(3-METHOXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE | Formula: | C18 H21 N3 O6 S3 | SMILES: | O=S(=O)(c1sc3c(c1)C=C(N(c2cccc(OC)c2)S3(=O)=O)CN4CCOCC4)N | InChi: | InChI=1S/C18H21N3O6S3/c1-26-16-4-2-3-14(11-16)21-15(12-20-5-7-27-8-6-20)9-13-10-17(29(19,22)23)28-18(13)30(21,24)25/h2-4,9-11H,5-8,12H2,1H3,(H2,19,22,23) | Synonyms: | AL-6629 | Definition date: | 2001-03-20 | Last modified: | 2020-05-27 | Identifier: | 2-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
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![INM INM](https://data.pdbj.org/pdbjplus/data/cc/svg/INM.svg) | INM | Name: | 4-AMINO-6-[N-(3-METHOXYLPROPYL)-2H-THIENO[3,2-E][1,2]THIAZINE 1,1-DIOXIDE]-SULFONAMIDE | Formula: | C10 H15 N3 O5 S3 | SMILES: | O=S(=O)(N)c2sc1c(C(=CN(S1(=O)=O)CCCOC)N)c2 | InChi: | InChI=1S/C10H15N3O5S3/c1-18-4-2-3-13-6-8(11)7-5-9(20(12,14)15)19-10(7)21(13,16)17/h5-6H,2-4,11H2,1H3,(H2,12,14,15) | Synonyms: | AL-8520 | Definition date: | 2001-03-21 | Last modified: | 2020-05-27 | Identifier: | 4-amino-2-(3-methoxypropyl)-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
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![INQ INQ](https://data.pdbj.org/pdbjplus/data/cc/svg/INQ.svg) | INQ | Name: | 6-[N-(3-HYDROXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE | Formula: | C17 H19 N3 O6 S3 | SMILES: | O=S(=O)(c1sc3c(c1)C=C(N(c2cccc(O)c2)S3(=O)=O)CN4CCOCC4)N | InChi: | InChI=1S/C17H19N3O6S3/c18-28(22,23)16-9-12-8-14(11-19-4-6-26-7-5-19)20(29(24,25)17(12)27-16)13-2-1-3-15(21)10-13/h1-3,8-10,21H,4-7,11H2,(H2,18,22,23) | Synonyms: | AL-6619 | Definition date: | 2001-03-21 | Last modified: | 2020-05-27 | Identifier: | 2-(3-hydroxyphenyl)-3-(morpholin-4-ylmethyl)-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
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![G2I G2I](https://data.pdbj.org/pdbjplus/data/cc/svg/G2I.svg) | G2I | Name: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | Formula: | C18 H33 N O13 | SMILES: | O(C1C(O)CNCC1CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO | InChi: | InChI=1S/C18H33NO13/c20-3-6-1-19-2-7(23)15(6)31-18-14(28)12(26)16(9(5-22)30-18)32-17-13(27)11(25)10(24)8(4-21)29-17/h6-28H,1-5H2/t6-,7-,8-,9-,10-,11+,12-,13-,14-,15-,16-,17+,18+/m1/s1 | Synonyms: | Cellotriose-like isofagomine | Definition date: | 2008-04-24 | Last modified: | 2020-05-27 | Identifier: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside |
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![G3I G3I](https://data.pdbj.org/pdbjplus/data/cc/svg/G3I.svg) | G3I | Name: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside | Formula: | C24 H43 N O18 | SMILES: | O(C2C(OC(OC1C(CO)CNCC1O)C(O)C2O)CO)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO | InChi: | InChI=1S/C24H43NO18/c26-3-7-1-25-2-8(30)19(7)41-23-17(36)14(33)21(10(5-28)39-23)43-24-18(37)15(34)20(11(6-29)40-24)42-22-16(35)13(32)12(31)9(4-27)38-22/h7-37H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+/m1/s1 | Synonyms: | Cellotetraose-like isofagomine | Definition date: | 2008-04-17 | Last modified: | 2020-05-27 | Identifier: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside |
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![GB0 GB0](https://data.pdbj.org/pdbjplus/data/cc/svg/GB0.svg) | GB0 | Name: | Bacteriochlorophyll g' | Formula: | C50 H58 Mg N4 O5 | SMILES: | C(C=C(/C)CCC=C(CCC=C(/C)C)C)OC(CCC=4C5=C2C1=N7C(C(=C1C(C2C(=O)OC)=O)C)=Cc9c(c(c8C=C3N6=C(C(=C3CC)C)C=C(C=4C)N5[Mg]67n89)C)CC)=O | InChi: | InChI=1S/C50H59N4O5.Mg/c1-12-34-30(7)37-24-39-32(9)36(20-21-43(55)59-23-22-29(6)19-15-18-28(5)17-14-16-27(3)4)47(53-39)45-46(50(57)58-11)49(56)44-33(10)40(54-48(44)45)26-42-35(13-2)31(8)38(52-42)25-41(34)51-37 | Definition date: | 2017-08-11 | Last modified: | 2020-05-27 | Release date: | 2017-09-06 | Identifier: | [methyl 9,14-diethyl-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium |
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![CGQ CGQ](https://data.pdbj.org/pdbjplus/data/cc/svg/CGQ.svg) | CGQ | Name: | 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM | Formula: | C17 H22 N9 | SMILES: | N([NH+]=C(/N)N/N=C/c1cccc(C(=[NH2+])N)c1)=C/c2cccc(C(=[NH2+])N)c2 | InChi: | InChI=1S/C17H19N9/c18-15(19)13-5-1-3-11(7-13)9-23-25-17(22)26-24-10-12-4-2-6-14(8-12)16(20)21/h1-10H,(H3,18,19)(H3,20,21)(H3,22,25,26)/p+3/b23-9+,24-10+ | Synonyms: | CGP40215A | Definition date: | 2002-07-30 | Last modified: | 2020-05-27 | Identifier: | (1E,2E)-1-{amino[(2E)-2-({3-[amino(iminio)methyl]phenyl}methylidene)hydrazino]methylidene}-2-({3-[amino(iminio)methyl]phenyl}methylidene)diazanium |
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![CHK CHK](https://data.pdbj.org/pdbjplus/data/cc/svg/CHK.svg) | CHK | Name: | 6-[(CYCLOHEXYLACETYL)(2-HYDROXYETHYL)AMINO]-6-DEOXY-D-XYLO-HEXITOL | Formula: | C16 H31 N O7 | SMILES: | O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CC1CCCCC1 | InChi: | InChI=1S/C16H31NO7/c18-7-6-17(14(22)8-11-4-2-1-3-5-11)9-12(20)15(23)16(24)13(21)10-19/h11-13,15-16,18-21,23-24H,1-10H2/t12-,13+,15-,16+/m1/s1 | Synonyms: | C-HEGA-8 | Definition date: | 2004-11-24 | Last modified: | 2020-05-27 | Identifier: | 6-[(cyclohexylacetyl)(2-hydroxyethyl)amino]-6-deoxy-D-allitol |
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![CIA CIA](https://data.pdbj.org/pdbjplus/data/cc/svg/CIA.svg) | CIA | Name: | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE | Formula: | C22 H19 N3 O4 | SMILES: | O=C1N(C)CC(=O)N6C1Cc3c2ccccc2nc3C6c4ccc5OCOc5c4 | InChi: | InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | Synonyms: | TADALAFIL | Definition date: | 2003-05-08 | Last modified: | 2020-05-27 | Identifier: | (6R,12aR)-6-(1,3-benzodioxol-5-yl)-2-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione |
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![CP0 CP0](https://data.pdbj.org/pdbjplus/data/cc/svg/CP0.svg) | CP0 | Name: | (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE | Formula: | C33 H38 N4 O6 | SMILES: | O=C7OCC=6C(=O)N2C(c1nc5c(c(c1C2)CC)cc(OC(=O)N4CCC(N3CCCCC3)CC4)cc5)=CC=6C7(O)CC | InChi: | InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1 | Synonyms: | IRINOTECAN | Definition date: | 2004-08-02 | Last modified: | 2020-05-27 | Identifier: | (4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 1,4'-bipiperidine-1'-carboxylate |
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![CQA CQA](https://data.pdbj.org/pdbjplus/data/cc/svg/CQA.svg) | CQA | Name: | 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[(DIETHYLAMINO)METHYL]PHENOL | Formula: | C20 H22 Cl N3 O | SMILES: | Clc1cc2nccc(c2cc1)Nc3cc(c(O)cc3)CN(CC)CC | InChi: | InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23) | Synonyms: | AMODIAQUINE | Definition date: | 2005-08-31 | Last modified: | 2020-05-27 | Identifier: | 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol |
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![GSN GSN](https://data.pdbj.org/pdbjplus/data/cc/svg/GSN.svg) | GSN | Name: | 2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE | Formula: | C10 H14 N4 O7 S | SMILES: | O=C(NC(C(=O)NCC([O-])=O)CSN=O)CCC(C([O-])=O)N | InChi: | InChI=1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/p-2/t5-,6-/m0/s1 | Synonyms: | S-NITROSOGLUTATHIONE | Definition date: | 2005-06-28 | Last modified: | 2020-05-27 | Identifier: | (2S)-2-amino-5-({(1R)-2-[(carboxylatomethyl)amino]-1-[(nitrososulfanyl)methyl]-2-oxoethyl}amino)-5-oxopentanoate |
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![FA4 FA4](https://data.pdbj.org/pdbjplus/data/cc/svg/FA4.svg) | FA4 | Name: | SM-25453 | Formula: | C24 H42 N6 O3 | SMILES: | O=C(NO)C(NC(=O)CCCCCCCCCc1ccccc1CNC(=[N@H])N)CCCCN | InChi: | InChI=1S/C24H42N6O3/c25-17-11-10-15-21(23(32)30-33)29-22(31)16-7-5-3-1-2-4-6-12-19-13-8-9-14-20(19)18-28-24(26)27/h8-9,13-14,21,33H,1-7,10-12,15-18,25H2,(H,29,31)(H,30,32)(H4,26,27,28)/t21-/m1/s1 | Synonyms: | (2-(9-((R)-1-(HYDROXYCARBAMOYL)-5-AMINOPENTYLCARBAMOYL)NONYL)BENZYL)GUANIDINE | Definition date: | 2005-09-28 | Last modified: | 2020-05-27 | Identifier: | N-[(1R)-5-amino-1-(hydroxycarbamoyl)pentyl]-10-[2-(carbamimidamidomethyl)phenyl]decanamide |
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![FDT FDT](https://data.pdbj.org/pdbjplus/data/cc/svg/FDT.svg) | FDT | Name: | (7R)-6-FORMYL-7-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-4,7-DIHYDRO-1,4-THIAZEPINE-3-CARBOXYLIC ACID | Formula: | C10 H10 N4 O3 S | SMILES: | O=C(O)C=1NC=C(C=O)C(SC=1)c2nnn(c2)C | InChi: | InChI=1S/C10H10N4O3S/c1-14-3-7(12-13-14)9-6(4-15)2-11-8(5-18-9)10(16)17/h2-5,9,11H,1H3,(H,16,17)/t9-/m0/s1 | Synonyms: | 7-(1-METHYL-1,2,3-TRIAZOL-4-YL)-6-FORMYL-2,7-DIHYDRO-[1,4]THIAZEPINE-3-CARBOXYLIC ACID | Definition date: | 2004-12-09 | Last modified: | 2020-05-27 | Identifier: | (7S)-6-formyl-7-(1-methyl-1H-1,2,3-triazol-4-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid |
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![E55 E55](https://data.pdbj.org/pdbjplus/data/cc/svg/E55.svg) | E55 | Name: | 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE | Formula: | C66 H126 N2 O19 P2 | SMILES: | O=P(OC1OC(C(O)C(OCCCCCCCCCC)C1NC(=O)CC(=O)CCCCCCCCCCC)COC2OC(COC)C(OP(=O)(O)O)C(OCCC(OC)CCCCCCC)C2NC(=O)CCCCCCCCCC=C/CCCCCC)(O)O | InChi: | InChI=1S/C66H126N2O19P2/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-57(70)67-60-64(82-49-47-54(80-6)45-41-36-18-14-10-4)62(86-88(73,74)75)56(51-79-5)85-65(60)83-52-55-61(72)63(81-48-43-39-35-24-21-17-13-9-3)59(66(84-55)87-89(76,77)78)68-58(71)50-53(69)44-40-37-33-31-23-20-16-12-8-2/h25-26,54-56,59-66,72H,7-24,27-52H2,1-6H3,(H,67,70)(H,68,71)(H2,73,74,75)(H2,76,77,78)/b26-25-/t54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1 | Synonyms: | E5564 | Definition date: | 2007-08-01 | Last modified: | 2020-05-27 | Identifier: | 3-O-decyl-2-deoxy-6-O-{2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[(11Z)-octadec-11-enoylamino]-4-O-phosphono-beta-D-glucopyranosyl}-2-[(3-oxotetradecanoyl)amino]-1-O-phosphono-alpha-D-glucopyranose |
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