![3BK 3BK](https://data.pdbj.org/pdbjplus/data/cc/svg/3BK.svg) | 3BK | Name: | (2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol | Formula: | C17 H18 Cl2 N6 O4 | SMILES: | Clc1ccc(cc1Cl)CNc3nc2c(ncnc2n3C4OC(C(O)C4O)CO)N | InChi: | InChI=1S/C17H18Cl2N6O4/c18-8-2-1-7(3-9(8)19)4-21-17-24-11-14(20)22-6-23-15(11)25(17)16-13(28)12(27)10(5-26)29-16/h1-3,6,10,12-13,16,26-28H,4-5H2,(H,21,24)(H2,20,22,23)/t10-,12-,13-,16-/m1/s1 | Synonyms: | 8-[(3,4-dichlorobenzyl)amino]adenosine | Definition date: | 2009-01-28 | Last modified: | 2020-06-17 | Identifier: | 8-[(3,4-dichlorobenzyl)amino]adenosine |
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![3BT 3BT](https://data.pdbj.org/pdbjplus/data/cc/svg/3BT.svg) | 3BT | Name: | 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | Formula: | C12 H18 N4 S2 | SMILES: | S(C(=[N@H])N)CCc1cccc(c1)CCSC(=[N@H])N | InChi: | InChI=1S/C12H18N4S2/c13-11(14)17-6-4-9-2-1-3-10(8-9)5-7-18-12(15)16/h1-3,8H,4-7H2,(H3,13,14)(H3,15,16) | Synonyms: | S,S'-(1,3-PHENYLENE-BIS(1,2-ETHANEDIYL))BIS-ISOTHIOUREA | Definition date: | 1999-09-23 | Last modified: | 2020-06-17 | Identifier: | benzene-1,3-diyldiethane-2,1-diyl bis(imidothiocarbamate) |
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![3C0 3C0](https://data.pdbj.org/pdbjplus/data/cc/svg/3C0.svg) | 3C0 | Name: | N-methyl scopolamine | Formula: | C18 H24 N O4 | SMILES: | O=C(OC1CC2[N+](C(C1)C3OC23)(C)C)C(c4ccccc4)CO | InChi: | InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1 | Synonyms: | (1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane | Definition date: | 2014-07-23 | Last modified: | 2020-06-17 | Release date: | 2014-11-26 | Identifier: | (1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane |
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![3DG 3DG](https://data.pdbj.org/pdbjplus/data/cc/svg/3DG.svg) | 3DG | Name: | 9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINE | Formula: | C10 H13 N5 O4 | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(CC3O)CO | InChi: | InChI=1S/C10H13N5O4/c11-10-13-7-6(8(18)14-10)12-3-15(7)9-5(17)1-4(2-16)19-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,9+/m0/s1 | Synonyms: | 3-DEOXYGUANOSINE | Definition date: | 2003-11-10 | Last modified: | 2020-06-17 | Identifier: | 3'-deoxyguanosine |
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![3DH 3DH](https://data.pdbj.org/pdbjplus/data/cc/svg/3DH.svg) | 3DH | Name: | 5'-S-ethyl-5'-thioadenosine | Formula: | C12 H17 N5 O3 S | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSCC)N | InChi: | InChI=1S/C12H17N5O3S/c1-2-21-3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 | Synonyms: | S-adenosylethane | Definition date: | 2008-06-20 | Last modified: | 2020-06-17 | Identifier: | 5'-S-ethyl-5'-thioadenosine |
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![3DU 3DU](https://data.pdbj.org/pdbjplus/data/cc/svg/3DU.svg) | 3DU | Name: | 4-hydroxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-2(1H)-one | Formula: | C10 H14 N O9 P | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)C=C(O)C=C1)C(O)C2O | InChi: | InChI=1S/C10H14NO9P/c12-5-1-2-11(7(13)3-5)10-9(15)8(14)6(20-10)4-19-21(16,17)18/h1-3,6,8-10,12,14-15H,4H2,(H2,16,17,18)/t6-,8-,9-,10-/m1/s1 | Synonyms: | 3-deazauridine 5'-monophosphate | Definition date: | 2013-12-05 | Last modified: | 2020-06-17 | Release date: | 2013-12-18 | Identifier: | 4-hydroxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-2(1H)-one |
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![3EV 3EV](https://data.pdbj.org/pdbjplus/data/cc/svg/3EV.svg) | 3EV | Name: | (1S,3S,5Z,7E,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol | Formula: | C27 H44 O3 | SMILES: | OC3C(=C)C(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3 | InChi: | InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22+,23-,24+,25+,27-/m1/s1 | Synonyms: | 1alpha,25-dihydroxy-3-epi-vitamin D3 | Definition date: | 2009-09-30 | Last modified: | 2020-06-17 | Identifier: | (1S,3S,5Z,7E,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol |
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![3F1 3F1](https://data.pdbj.org/pdbjplus/data/cc/svg/3F1.svg) | 3F1 | Name: | N-{[4-(benzyloxy)phenyl](methyl)-lambda~4~-sulfanylidene}-4-methylbenzenesulfonamide | Formula: | C21 H21 N O3 S2 | SMILES: | Cc1ccc(cc1)[S](=O)(=O)N=[S](C)c2ccc(OCc3ccccc3)cc2 | InChi: | InChI=1S/C21H21NO3S2/c1-17-8-14-21(15-9-17)27(23,24)22-26(2)20-12-10-19(11-13-20)25-16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3/t26-/m1/s1 | Synonyms: | N-{[4-(benzyloxy)phenyl](methyl)-lambda}-4-methylbenzenesulfonamide | Definition date: | 2010-01-18 | Last modified: | 2020-06-17 | Identifier: | 4-methyl-N-[(R)-methyl-(4-phenylmethoxyphenyl)-$l^{4}-sulfanylidene]benzenesulfonamide |
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![3FP 3FP](https://data.pdbj.org/pdbjplus/data/cc/svg/3FP.svg) | 3FP | Name: | (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL | Formula: | C22 H23 F4 N5 O2 | SMILES: | FC(F)(F)c1cc(c(F)cc1)Nc3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3 | InChi: | InChI=1S/C22H23F4N5O2/c1-31(2)11-16(32)12-33-17-6-4-15(5-7-17)29-20-10-21(28-13-27-20)30-19-9-14(22(24,25)26)3-8-18(19)23/h3-10,13,16,32H,11-12H2,1-2H3,(H2,27,28,29,30)/t16-/m1/s1 | Synonyms: | 1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL | Definition date: | 2002-06-11 | Last modified: | 2020-06-17 | Identifier: | (2R)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol |
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![3FR 3FR](https://data.pdbj.org/pdbjplus/data/cc/svg/3FR.svg) | 3FR | Name: | 3'-chloro-5'-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide | Formula: | C28 H24 Cl N5 O | SMILES: | O=C(N)c1ccccc1c2cc(cc(Cl)c2)n5nc(c3c5cc(nc3)NC(c4ccccc4)C)C | InChi: | InChI=1S/C28H24ClN5O/c1-17(19-8-4-3-5-9-19)32-27-15-26-25(16-31-27)18(2)33-34(26)22-13-20(12-21(29)14-22)23-10-6-7-11-24(23)28(30)35/h3-17H,1-2H3,(H2,30,35)(H,31,32)/t17-/m0/s1 | Synonyms: | 3'-chloro-5'-[3-methyl-6-(1-phenyl-ethylamino)-pyrazolo[4,3-c]pyridin-1-yl]-biphenyl-2-carboxylic acid amide | Definition date: | 2008-06-16 | Last modified: | 2020-06-17 | Identifier: | 3'-chloro-5'-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide |
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![3GO 3GO](https://data.pdbj.org/pdbjplus/data/cc/svg/3GO.svg) | 3GO | Name: | 4-[[(2R,3S,4R,5R)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitri
le | Formula: | C28 H26 N8 O4 | SMILES: | N#Cc1ccc(cc1)COCC6OC(n3c(nc2c(ncnc23)N)NCc5cc4cccnc4cc5)C(O)C6O | InChi: | InChI=1S/C28H26N8O4/c29-11-16-3-5-17(6-4-16)13-39-14-21-23(37)24(38)27(40-21)36-26-22(25(30)33-15-34-26)35-28(36)32-12-18-7-8-20-19(10-18)2-1-9-31-20/h1-10,15,21,23-24,27,37-38H,12-14H2,(H,32,35)(H2,30,33,34)/t21-,23-,24-,27-/m1/s1 | Synonyms: | 5'-O-(4-cyanobenzyl)-8-[(quinolin-6-ylmethyl)amino]adenosine | Definition date: | 2009-01-28 | Last modified: | 2020-06-17 | Identifier: | 5'-O-(4-cyanobenzyl)-8-[(quinolin-6-ylmethyl)amino]adenosine |
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![3GY 3GY](https://data.pdbj.org/pdbjplus/data/cc/svg/3GY.svg) | 3GY | Name: | (2R)-butan-2-ylbenzene | Formula: | C10 H14 | SMILES: | c1ccccc1C(CC)C | InChi: | InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m1/s1 | Synonyms: | sec-Butylbenzene | Definition date: | 2014-08-18 | Last modified: | 2020-06-17 | Release date: | 2015-04-01 | Identifier: | (2R)-butan-2-ylbenzene |
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![3H4 3H4](https://data.pdbj.org/pdbjplus/data/cc/svg/3H4.svg) | 3H4 | Name: | (1Z,4S,6Z)-1-[(N-{(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methy
l-L-valyl)amino]octa-1,6-dien-4-yl carbamate | Formula: | C31 H45 N3 O7 | SMILES: | O=C(OC(CC=C/C)C/C=CNC(=O)C(NC(=O)C=C/C=CC(=CC(C)C1OC(=O)C(OC)=CC1)C)C(C)(C)C)N | InChi: | InChI=1S/C31H45N3O7/c1-8-9-14-23(40-30(32)38)15-12-19-33-28(36)27(31(4,5)6)34-26(35)16-11-10-13-21(2)20-22(3)24-17-18-25(39-7)29(37)41-24/h8-13,16,18-20,22-24,27H,14-15,17H2,1-7H3,(H2,32,38)(H,33,36)(H,34,35)/b9-8-,13-10-,16-11-,19-12-,21-20+/t22-,23-,24-,27+/m0/s1 | Synonyms: | PM060184 | Definition date: | 2014-08-19 | Last modified: | 2020-06-17 | Release date: | 2014-09-03 | Identifier: | (1Z,4S,6Z)-1-[(N-{(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methyl-L-valyl)amino]octa-1,6-dien-4-yl carbamate |
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![3HA 3HA](https://data.pdbj.org/pdbjplus/data/cc/svg/3HA.svg) | 3HA | Name: | 3-HYDROXYANTHRANILIC ACID | Formula: | C7 H7 N O3 | SMILES: | O=C(O)c1cccc(O)c1N | InChi: | InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) | Synonyms: | 2-AMINO-3-HYDROXYBENZOIC ACID | Definition date: | 2004-08-16 | Last modified: | 2020-06-17 | Identifier: | 2-amino-3-hydroxybenzoic acid |
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![3J8 3J8](https://data.pdbj.org/pdbjplus/data/cc/svg/3J8.svg) | 3J8 | Name: | 5-methylphenazin-1(5H)-one | Formula: | C13 H10 N2 O | SMILES: | O=C3C2=Nc1c(cccc1)N(C2=CC=C3)C | InChi: | InChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3 | Synonyms: | Pyocyanin | Definition date: | 2009-09-25 | Last modified: | 2020-06-17 | Identifier: | 5-methylphenazin-1(5H)-one |
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![3JD 3JD](https://data.pdbj.org/pdbjplus/data/cc/svg/3JD.svg) | 3JD | Name: | 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide | Formula: | C19 H20 N4 O | SMILES: | O=C(c1cccc2cn(nc12)c3ccc(cc3)C4CCCNC4)N | InChi: | InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1 | Synonyms: | Niraparib | Definition date: | 2014-08-26 | Last modified: | 2020-06-17 | Release date: | 2015-09-09 | Identifier: | 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide |
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![3JL 3JL](https://data.pdbj.org/pdbjplus/data/cc/svg/3JL.svg) | 3JL | Name: | 3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid | Formula: | C12 H12 O6 | SMILES: | O=C(O)c1cccc(c1C(=O)O)CCCC(=O)O | InChi: | InChI=1S/C12H12O6/c13-9(14)6-2-4-7-3-1-5-8(11(15)16)10(7)12(17)18/h1,3,5H,2,4,6H2,(H,13,14)(H,15,16)(H,17,18) | Synonyms: | 3-carboxypropyl-phthalic acid | Definition date: | 2014-08-27 | Last modified: | 2020-06-17 | Release date: | 2014-12-10 | Identifier: | 3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid |
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![3JM 3JM](https://data.pdbj.org/pdbjplus/data/cc/svg/3JM.svg) | 3JM | Name: | 3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid | Formula: | C11 H10 O6 | SMILES: | O=C(O)c1cccc(c1C(=O)O)CCC(=O)O | InChi: | InChI=1S/C11H10O6/c12-8(13)5-4-6-2-1-3-7(10(14)15)9(6)11(16)17/h1-3H,4-5H2,(H,12,13)(H,14,15)(H,16,17) | Synonyms: | 3-carboxy-ethyl-phthalic acid | Definition date: | 2014-08-27 | Last modified: | 2020-06-17 | Release date: | 2014-12-10 | Identifier: | 3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid |
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![3K8 3K8](https://data.pdbj.org/pdbjplus/data/cc/svg/3K8.svg) | 3K8 | Name: | (14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-dibenzo[f,h]pyrido[1,2-b]isoquinoline | Formula: | C24 H27 N O3 | SMILES: | O(c2ccc1c5c(c3c(c1c2)cc(OC)c(OC)c3)CC4N(CCCC4)C5)C | InChi: | InChI=1S/C24H27NO3/c1-26-16-7-8-17-19(11-16)21-13-24(28-3)23(27-2)12-20(21)18-10-15-6-4-5-9-25(15)14-22(17)18/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3/t15-/m1/s1 | Synonyms: | Cryptopleurine | Definition date: | 2014-09-01 | Last modified: | 2020-06-17 | Release date: | 2014-10-22 | Identifier: | (14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-dibenzo[f,h]pyrido[1,2-b]isoquinoline |
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![3KA 3KA](https://data.pdbj.org/pdbjplus/data/cc/svg/3KA.svg) | 3KA | Name: | 1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)pyrimidine-2,4(1H,3H)-dione | Formula: | C9 H13 N2 O8 P | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O | InChi: | InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m1/s1 | Synonyms: | L-2'-DEOXYURIDINE-5'-MONOPHOSPHATE | Definition date: | 2014-09-03 | Last modified: | 2020-06-17 | Release date: | 2015-05-06 | Identifier: | 1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)pyrimidine-2,4(1H,3H)-dione |
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![3KE 3KE](https://data.pdbj.org/pdbjplus/data/cc/svg/3KE.svg) | 3KE | Name: | 4-{[({3-[2-(4-methoxybenzyl)-2H-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid | Formula: | C24 H21 N5 O4 | SMILES: | O=C(O)c1ccc(cc1)CNC(=O)c4cccc(c2nn(nn2)Cc3ccc(OC)cc3)c4 | InChi: | InChI=1S/C24H21N5O4/c1-33-21-11-7-17(8-12-21)15-29-27-22(26-28-29)19-3-2-4-20(13-19)23(30)25-14-16-5-9-18(10-6-16)24(31)32/h2-13H,14-15H2,1H3,(H,25,30)(H,31,32) | Synonyms: | 4-((3-(2-(4-methoxybenzyl)-2H-tetrazol-5-yl)benzamido)methyl)benzoic acid | Definition date: | 2009-10-29 | Last modified: | 2020-06-17 | Identifier: | 4-{[({3-[2-(4-methoxybenzyl)-2H-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid |
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![6UB 6UB](https://data.pdbj.org/pdbjplus/data/cc/svg/6UB.svg) | 6UB | Name: | amlodipine | Formula: | C20 H25 Cl N2 O5 | SMILES: | CCOC(=O)C1=C(COCCN)NC(=C([CH]1c2ccccc2Cl)C(=O)OC)C | InChi: | InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1 | Synonyms: | ~{O}3-ethyl ~{O}5-methyl
(4~{S})-2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate | Definition date: | 2016-06-27 | Last modified: | 2020-06-17 | Release date: | 2016-08-31 | Identifier: | ~{O}3-ethyl ~{O}5-methyl (4~{S})-2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate |
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![6UR 6UR](https://data.pdbj.org/pdbjplus/data/cc/svg/6UR.svg) | 6UR | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]p
hosphonamidic acid | Formula: | C20 H24 N7 O6 P | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)NCCc4c[nH]c5ccccc45)[CH](O)[CH]3O | InChi: | InChI=1S/C20H24N7O6P/c21-18-15-19(24-9-23-18)27(10-25-15)20-17(29)16(28)14(33-20)8-32-34(30,31)26-6-5-11-7-22-13-4-2-1-3-12(11)13/h1-4,7,9-10,14,16-17,20,22,28-29H,5-6,8H2,(H2,21,23,24)(H2,26,30,31)/t14-,16-,17-,20-/m1/s1 | Synonyms: | TpAd | Definition date: | 2016-06-28 | Last modified: | 2020-06-17 | Release date: | 2017-06-28 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]phosphonamidic acid |
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![6UT 6UT](https://data.pdbj.org/pdbjplus/data/cc/svg/6UT.svg) | 6UT | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~
{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid | Formula: | C22 H27 N8 O8 P | SMILES: | CNC(=O)[CH](Cc1c[nH]c2ccccc12)N[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)NC(=Nc45)N | InChi: | InChI=1S/C22H27N8O8P/c1-24-19(33)13(6-10-7-25-12-5-3-2-4-11(10)12)29-39(35,36)37-8-14-16(31)17(32)21(38-14)30-9-26-15-18(30)27-22(23)28-20(15)34/h2-5,7,9,13-14,16-17,21,25,31-32H,6,8H2,1H3,(H,24,33)(H2,29,35,36)(H3,23,27,28,34)/t13-,14+,16+,17+,21+/m0/s1 | Synonyms: | L-Trp-G | Definition date: | 2016-06-28 | Last modified: | 2020-06-17 | Release date: | 2017-06-28 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid |
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![6UZ 6UZ](https://data.pdbj.org/pdbjplus/data/cc/svg/6UZ.svg) | 6UZ | Name: | omega-undecylenyl-beta-D-maltopyranoside | Formula: | C23 H42 O11 | SMILES: | OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCCCCCCCCC=C)O[CH]2CO)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C23H42O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h2,14-30H,1,3-13H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1 | Synonyms: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-4,5-bis(oxidanyl
)-6-undec-10-enoxy-oxan-3-yl]oxy-oxane-3,4,5-triol | Definition date: | 2016-06-29 | Last modified: | 2020-06-17 | Release date: | 2017-03-22 | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-4,5-bis(oxidanyl)-6-undec-10-enoxy-oxan-3-yl]oxy-oxane-3,4,5-triol |
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