![2GH 2GH](https://data.pdbj.org/pdbjplus/data/cc/svg/2GH.svg) | 2GH | Name: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide | Formula: | C14 H29 N2 O7 P | SMILES: | O=P(OCC(C(O)C(=O)NCCC(=O)NCCCCC)(C)C)(O)O | InChi: | InChI=1S/C14H29N2O7P/c1-4-5-6-8-15-11(17)7-9-16-13(19)12(18)14(2,3)10-23-24(20,21)22/h12,18H,4-10H2,1-3H3,(H,15,17)(H,16,19)(H2,20,21,22)/t12-/m0/s1 | Definition date: | 2013-10-16 | Last modified: | 2014-08-29 | Release date: | 2014-09-03 | Identifier: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide |
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![HR4 HR4](https://data.pdbj.org/pdbjplus/data/cc/svg/HR4.svg) | HR4 | Name: | (2S,4aR,6R,7R,7aS)-6-{6-amino-8-[(4-fluorobenzyl)sulfanyl]-9H-purin-9-yl}-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide | Formula: | C17 H17 F N5 O5 P S2 | SMILES: | Fc1ccc(cc1)CSc3nc2c(ncnc2n3C5OC4COP(=O)(OC4C5O)S)N | InChi: | InChI=1S/C17H17FN5O5PS2/c18-9-3-1-8(2-4-9)6-31-17-22-11-14(19)20-7-21-15(11)23(17)16-12(24)13-10(27-16)5-26-29(25,30)28-13/h1-4,7,10,12-13,16,24H,5-6H2,(H,25,30)(H2,19,20,21)/t10-,12-,13-,16-,29+/m1/s1 | Definition date: | 2013-09-12 | Last modified: | 2014-08-29 | Release date: | 2014-09-03 | Identifier: | (2S,4aR,6R,7R,7aS)-6-{6-amino-8-[(4-fluorobenzyl)sulfanyl]-9H-purin-9-yl}-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide |
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![HR6 HR6](https://data.pdbj.org/pdbjplus/data/cc/svg/HR6.svg) | HR6 | Name: | (2S,4aR,6R,7R,7aS)-6-[6-amino-8-(benzylsulfanyl)-9H-purin-9-yl]-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide | Formula: | C17 H18 N5 O5 P S2 | SMILES: | O=P4(OCC5OC(n2c3ncnc(N)c3nc2SCc1ccccc1)C(O)C5O4)S | InChi: | InChI=1S/C17H18N5O5PS2/c18-14-11-15(20-8-19-14)22(17(21-11)30-7-9-4-2-1-3-5-9)16-12(23)13-10(26-16)6-25-28(24,29)27-13/h1-5,8,10,12-13,16,23H,6-7H2,(H,24,29)(H2,18,19,20)/t10-,12-,13-,16-,28+/m1/s1 | Definition date: | 2013-09-12 | Last modified: | 2014-08-29 | Release date: | 2014-09-03 | Identifier: | (2S,4aR,6R,7R,7aS)-6-[6-amino-8-(benzylsulfanyl)-9H-purin-9-yl]-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide |
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![0G8 0G8](https://data.pdbj.org/pdbjplus/data/cc/svg/0G8.svg) | 0G8 | Name: | [(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate | Formula: | C8 H13 N3 O9 P2 S | SMILES: | O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CS2 | InChi: | InChI=1S/C8H13N3O9P2S/c9-5-1-2-11(8(12)10-5)6-4-23-7(19-6)3-18-22(16,17)20-21(13,14)15/h1-2,6-7H,3-4H2,(H,16,17)(H2,9,10,12)(H2,13,14,15)/t6-,7+/m0/s1 | Definition date: | 2012-01-06 | Last modified: | 2014-08-22 | Release date: | 2014-08-27 | Identifier: | [(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate |
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![LTP LTP](https://data.pdbj.org/pdbjplus/data/cc/svg/LTP.svg) | LTP | Name: | 4-amino-1-{2-deoxy-5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one | Formula: | C9 H15 N3 O10 P2 | SMILES: | O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O | InChi: | InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m1/s1 | Definition date: | 2012-12-14 | Last modified: | 2014-08-22 | Release date: | 2014-08-27 | Identifier: | 4-amino-1-{2-deoxy-5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one |
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![3TT 3TT](https://data.pdbj.org/pdbjplus/data/cc/svg/3TT.svg) | 3TT | Name: | [[[[(2R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid | Formula: | C8 H15 N4 O11 P3 S | SMILES: | NC1=NC(=O)N(C=C1)[CH]2CS[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)O2 | InChi: | InChI=1S/C8H15N4O11P3S/c9-5-1-2-12(8(13)10-5)6-4-27-7(22-6)3-21-26(19,20)23-25(17,18)11-24(14,15)16/h1-2,6-7H,3-4H2,(H,19,20)(H2,9,10,13)(H4,11,14,15,16,17,18)/t6-,7+/m0/s1 | Definition date: | 2012-01-06 | Last modified: | 2014-08-22 | Release date: | 2014-08-27 | Identifier: | [[[[(2R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid |
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![C63 C63](https://data.pdbj.org/pdbjplus/data/cc/svg/C63.svg) | C63 | Name: | (2R)-2,3-bis(hexyloxy)propyl hydrogen (S)-pentylphosphonate | Formula: | C20 H43 O5 P | SMILES: | O=P(OCC(OCCCCCC)COCCCCCC)(O)CCCCC | InChi: | InChI=1S/C20H43O5P/c1-4-7-10-12-15-23-18-20(24-16-13-11-8-5-2)19-25-26(21,22)17-14-9-6-3/h20H,4-19H2,1-3H3,(H,21,22)/t20-/m1/s1 | Definition date: | 2014-04-16 | Last modified: | 2014-08-22 | Release date: | 2014-08-27 | Identifier: | (2R)-2,3-bis(hexyloxy)propyl hydrogen (S)-pentylphosphonate |
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![ED9 ED9](https://data.pdbj.org/pdbjplus/data/cc/svg/ED9.svg) | ED9 | Name: | (1R,2R,3R,5Z,7E,14beta,17alpha)-2-(3-hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol | Formula: | C30 H50 O5 | SMILES: | O(CCCO)C3C(O)C(C(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC3O)=C | InChi: | InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28-,30-/m1/s1 | Definition date: | 2014-08-18 | Last modified: | 2014-08-22 | Release date: | 2014-08-27 | Identifier: | (1R,2R,3R,5Z,7E,14beta,17alpha)-2-(3-hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol |
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![26G 26G](https://data.pdbj.org/pdbjplus/data/cc/svg/26G.svg) | 26G | Name: | 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}ethanol | Formula: | C14 H17 N3 O | SMILES: | n1c(N)c(cnc1C)Cc2cccc(c2)CCO | InChi: | InChI=1S/C14H17N3O/c1-10-16-9-13(14(15)17-10)8-12-4-2-3-11(7-12)5-6-18/h2-4,7,9,18H,5-6,8H2,1H3,(H2,15,16,17) | Definition date: | 2013-08-30 | Last modified: | 2014-08-22 | Release date: | 2014-08-27 | Identifier: | 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}ethanol |
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![2DH 2DH](https://data.pdbj.org/pdbjplus/data/cc/svg/2DH.svg) | 2DH | Name: | [5-methoxy-2-({[4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1H-indol-1-yl]acetic acid | Formula: | C19 H15 F3 N2 O6 S | SMILES: | FC(F)(F)c1ccc(cc1)S(=O)(=O)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O | InChi: | InChI=1S/C19H15F3N2O6S/c1-30-13-4-7-15-11(8-13)9-16(24(15)10-17(25)26)18(27)23-31(28,29)14-5-2-12(3-6-14)19(20,21)22/h2-9H,10H2,1H3,(H,23,27)(H,25,26) | Definition date: | 2013-09-25 | Last modified: | 2014-08-22 | Release date: | 2014-08-27 | Identifier: | [5-methoxy-2-({[4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1H-indol-1-yl]acetic acid |
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![2DJ 2DJ](https://data.pdbj.org/pdbjplus/data/cc/svg/2DJ.svg) | 2DJ | Name: | (2-{[(4-tert-butylphenyl)sulfonyl]carbamoyl}-5-methoxy-1H-indol-1-yl)acetic acid | Formula: | C22 H24 N2 O6 S | SMILES: | O=S(=O)(c1ccc(cc1)C(C)(C)C)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O | InChi: | InChI=1S/C22H24N2O6S/c1-22(2,3)15-5-8-17(9-6-15)31(28,29)23-21(27)19-12-14-11-16(30-4)7-10-18(14)24(19)13-20(25)26/h5-12H,13H2,1-4H3,(H,23,27)(H,25,26) | Definition date: | 2013-09-25 | Last modified: | 2014-08-22 | Release date: | 2014-08-27 | Identifier: | (2-{[(4-tert-butylphenyl)sulfonyl]carbamoyl}-5-methoxy-1H-indol-1-yl)acetic acid |
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![2DK 2DK](https://data.pdbj.org/pdbjplus/data/cc/svg/2DK.svg) | 2DK | Name: | {5-methoxy-2-[(morpholin-4-ylsulfonyl)carbamoyl]-1H-indol-1-yl}acetic acid | Formula: | C16 H19 N3 O7 S | SMILES: | O=S(=O)(N1CCOCC1)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O | InChi: | InChI=1S/C16H19N3O7S/c1-25-12-2-3-13-11(8-12)9-14(19(13)10-15(20)21)16(22)17-27(23,24)18-4-6-26-7-5-18/h2-3,8-9H,4-7,10H2,1H3,(H,17,22)(H,20,21) | Definition date: | 2013-09-25 | Last modified: | 2014-08-22 | Release date: | 2014-08-27 | Identifier: | {5-methoxy-2-[(morpholin-4-ylsulfonyl)carbamoyl]-1H-indol-1-yl}acetic acid |
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![2DN 2DN](https://data.pdbj.org/pdbjplus/data/cc/svg/2DN.svg) | 2DN | Name: | [2-({[5-(acetylamino)-1,3,4-thiadiazol-2-yl]sulfonyl}carbamoyl)-5-methoxy-1H-indol-1-yl]acetic acid | Formula: | C16 H15 N5 O7 S2 | SMILES: | O=S(=O)(c1nnc(s1)NC(=O)C)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O | InChi: | InChI=1S/C16H15N5O7S2/c1-8(22)17-15-18-19-16(29-15)30(26,27)20-14(25)12-6-9-5-10(28-2)3-4-11(9)21(12)7-13(23)24/h3-6H,7H2,1-2H3,(H,20,25)(H,23,24)(H,17,18,22) | Definition date: | 2013-09-25 | Last modified: | 2014-08-22 | Release date: | 2014-08-27 | Identifier: | [2-({[5-(acetylamino)-1,3,4-thiadiazol-2-yl]sulfonyl}carbamoyl)-5-methoxy-1H-indol-1-yl]acetic acid |
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![2DQ 2DQ](https://data.pdbj.org/pdbjplus/data/cc/svg/2DQ.svg) | 2DQ | Name: | (5-methoxy-2-{[(4-methoxyphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid | Formula: | C19 H18 N2 O7 S | SMILES: | O=S(=O)(c1ccc(OC)cc1)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O | InChi: | InChI=1S/C19H18N2O7S/c1-27-13-3-6-15(7-4-13)29(25,26)20-19(24)17-10-12-9-14(28-2)5-8-16(12)21(17)11-18(22)23/h3-10H,11H2,1-2H3,(H,20,24)(H,22,23) | Definition date: | 2013-09-25 | Last modified: | 2014-08-22 | Release date: | 2014-08-27 | Identifier: | (5-methoxy-2-{[(4-methoxyphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid |
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![2DU 2DU](https://data.pdbj.org/pdbjplus/data/cc/svg/2DU.svg) | 2DU | Name: | {2-[(benzylsulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl}acetic acid | Formula: | C19 H18 N2 O6 S | SMILES: | O=S(=O)(NC(=O)c2cc1cc(OC)ccc1n2CC(=O)O)Cc3ccccc3 | InChi: | InChI=1S/C19H18N2O6S/c1-27-15-7-8-16-14(9-15)10-17(21(16)11-18(22)23)19(24)20-28(25,26)12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,24)(H,22,23) | Definition date: | 2013-09-25 | Last modified: | 2014-08-22 | Release date: | 2014-08-27 | Identifier: | {2-[(benzylsulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl}acetic acid |
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![2DV 2DV](https://data.pdbj.org/pdbjplus/data/cc/svg/2DV.svg) | 2DV | Name: | [5-methoxy-2-({[4-(trifluoromethyl)benzyl]sulfonyl}carbamoyl)-1H-indol-1-yl]acetic acid | Formula: | C20 H17 F3 N2 O6 S | SMILES: | FC(F)(F)c1ccc(cc1)CS(=O)(=O)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O | InChi: | InChI=1S/C20H17F3N2O6S/c1-31-15-6-7-16-13(8-15)9-17(25(16)10-18(26)27)19(28)24-32(29,30)11-12-2-4-14(5-3-12)20(21,22)23/h2-9H,10-11H2,1H3,(H,24,28)(H,26,27) | Definition date: | 2013-09-25 | Last modified: | 2014-08-22 | Release date: | 2014-08-27 | Identifier: | [5-methoxy-2-({[4-(trifluoromethyl)benzyl]sulfonyl}carbamoyl)-1H-indol-1-yl]acetic acid |
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![2DW 2DW](https://data.pdbj.org/pdbjplus/data/cc/svg/2DW.svg) | 2DW | Name: | {5-methoxy-2-[(naphthalen-2-ylsulfonyl)carbamoyl]-1H-indol-1-yl}acetic acid | Formula: | C22 H18 N2 O6 S | SMILES: | O=S(=O)(c2cc1ccccc1cc2)NC(=O)c4cc3cc(OC)ccc3n4CC(=O)O | InChi: | InChI=1S/C22H18N2O6S/c1-30-17-7-9-19-16(10-17)12-20(24(19)13-21(25)26)22(27)23-31(28,29)18-8-6-14-4-2-3-5-15(14)11-18/h2-12H,13H2,1H3,(H,23,27)(H,25,26) | Definition date: | 2013-09-25 | Last modified: | 2014-08-22 | Release date: | 2014-08-27 | Identifier: | {5-methoxy-2-[(naphthalen-2-ylsulfonyl)carbamoyl]-1H-indol-1-yl}acetic acid |
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![2DZ 2DZ](https://data.pdbj.org/pdbjplus/data/cc/svg/2DZ.svg) | 2DZ | Name: | [5-methoxy-2-({[2-nitro-4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1H-indol-1-yl]acetic acid | Formula: | C19 H14 F3 N3 O8 S | SMILES: | FC(F)(F)c1ccc(c([N+]([O-])=O)c1)S(=O)(=O)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O | InChi: | InChI=1S/C19H14F3N3O8S/c1-33-12-3-4-13-10(6-12)7-15(24(13)9-17(26)27)18(28)23-34(31,32)16-5-2-11(19(20,21)22)8-14(16)25(29)30/h2-8H,9H2,1H3,(H,23,28)(H,26,27) | Definition date: | 2013-09-25 | Last modified: | 2014-08-22 | Release date: | 2014-08-27 | Identifier: | [5-methoxy-2-({[2-nitro-4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1H-indol-1-yl]acetic acid |
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![2Q4 2Q4](https://data.pdbj.org/pdbjplus/data/cc/svg/2Q4.svg) | 2Q4 | Name: | N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide | Formula: | C23 H35 Cl N2 O4 | SMILES: | O=C(N2CCC(O)(c1ccc(Cl)cc1)C(C)(C2)C)C(NC(=O)CC(O)(C)C)C(C)C | InChi: | InChI=1S/C23H35ClN2O4/c1-15(2)19(25-18(27)13-22(5,6)29)20(28)26-12-11-23(30,21(3,4)14-26)16-7-9-17(24)10-8-16/h7-10,15,19,29-30H,11-14H2,1-6H3,(H,25,27)/t19-,23+/m1/s1 | Definition date: | 2014-01-03 | Last modified: | 2014-08-22 | Release date: | 2014-08-27 | Identifier: | N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide |
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![FTD FTD](https://data.pdbj.org/pdbjplus/data/cc/svg/FTD.svg) | FTD | Name: | [(2R,5S)-5-(4-amino-5-fluoro-2-oxo-3,6-dihydropyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate | Formula: | C8 H14 F N3 O9 P2 S | SMILES: | O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=C(F)C1)N)CS2 | InChi: | InChI=1S/C8H14FN3O9P2S/c9-4-1-12(8(13)11-7(4)10)5-3-24-6(20-5)2-19-23(17,18)21-22(14,15)16/h5-6H,1-3,10H2,(H,11,13)(H,17,18)(H2,14,15,16)/t5-,6+/m0/s1 | Definition date: | 2012-01-06 | Last modified: | 2014-08-22 | Release date: | 2014-08-27 | Identifier: | [(2R,5S)-5-(4-amino-5-fluoro-2-oxo-3,6-dihydropyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate |
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![VPM VPM](https://data.pdbj.org/pdbjplus/data/cc/svg/VPM.svg) | VPM | Name: | (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid | Formula: | C7 H12 O5 | SMILES: | O=C(O)C(O)(CC(=O)O)C(C)C | InChi: | InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1 | Definition date: | 2014-03-04 | Last modified: | 2014-08-15 | Release date: | 2014-08-20 | Identifier: | (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid |
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![PQW PQW](https://data.pdbj.org/pdbjplus/data/cc/svg/PQW.svg) | PQW | Name: | N'-[4-[[(2S,4R)-4-[3-[(C-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide | Formula: | C27 H27 N5 O2 S2 | SMILES: | N(/c4ccc(OCC3NCC(Oc2cccc(NC(=[N@H])c1sccc1)c2)C3)cc4)=C(N)c5sccc5 | InChi: | InChI=1S/C27H27N5O2S2/c28-26(24-6-2-12-35-24)31-18-8-10-21(11-9-18)33-17-20-15-23(16-30-20)34-22-5-1-4-19(14-22)32-27(29)25-7-3-13-36-25/h1-14,20,23,30H,15-17H2,(H2,28,31)(H2,29,32)/t20-,23+/m0/s1 | Definition date: | 2014-06-18 | Last modified: | 2014-08-15 | Release date: | 2014-08-20 | Identifier: | N-[3-({(3R,5S)-5-[(4-{(E)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)methyl]pyrrolidin-3-yl}oxy)phenyl]thiophene-2-carboximidamide |
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![31H 31H](https://data.pdbj.org/pdbjplus/data/cc/svg/31H.svg) | 31H | Name: | 3'-deoxy-3'-[(N-formyl-L-methionyl)amino]adenosine 5'-(dihydrogen phosphate) | Formula: | C16 H24 N7 O8 P S | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3NC(=O)C(NC=O)CCSC | InChi: | InChI=1S/C16H24N7O8PS/c1-33-3-2-8(21-7-24)15(26)22-10-9(4-30-32(27,28)29)31-16(12(10)25)23-6-20-11-13(17)18-5-19-14(11)23/h5-10,12,16,25H,2-4H2,1H3,(H,21,24)(H,22,26)(H2,17,18,19)(H2,27,28,29)/t8-,9+,10+,12+,16+/m0/s1 | Definition date: | 2014-05-18 | Last modified: | 2014-08-15 | Release date: | 2014-08-20 | Identifier: | 3'-deoxy-3'-[(N-formyl-L-methionyl)amino]adenosine 5'-(dihydrogen phosphate) |
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![31M 31M](https://data.pdbj.org/pdbjplus/data/cc/svg/31M.svg) | 31M | Name: | 3'-deoxy-3'-[(L-methionyl-L-phenylalanyl)amino]adenosine 5'-(dihydrogen phosphate) | Formula: | C24 H33 N8 O8 P S | SMILES: | O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(O)C4NC(=O)C(NC(=O)C(N)CCSC)Cc3ccccc3 | InChi: | InChI=1S/C24H33N8O8PS/c1-42-8-7-14(25)22(34)30-15(9-13-5-3-2-4-6-13)23(35)31-17-16(10-39-41(36,37)38)40-24(19(17)33)32-12-29-18-20(26)27-11-28-21(18)32/h2-6,11-12,14-17,19,24,33H,7-10,25H2,1H3,(H,30,34)(H,31,35)(H2,26,27,28)(H2,36,37,38)/t14-,15-,16+,17+,19+,24+/m0/s1 | Definition date: | 2014-05-20 | Last modified: | 2014-08-15 | Release date: | 2014-08-20 | Identifier: | 3'-deoxy-3'-[(L-methionyl-L-phenylalanyl)amino]adenosine 5'-(dihydrogen phosphate) |
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![6E5 6E5](https://data.pdbj.org/pdbjplus/data/cc/svg/6E5.svg) | 6E5 | Name: | N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide | Formula: | C29 H31 N5 O2 S2 | SMILES: | s1cccc1C(=[N@H])Nc2cccc(c2)COCC5NCC(OCc3cc(ccc3)NC(=[N@H])c4sccc4)C5 | InChi: | InChI=1S/C29H31N5O2S2/c30-28(26-9-3-11-37-26)33-22-7-1-5-20(13-22)17-35-19-24-15-25(16-32-24)36-18-21-6-2-8-23(14-21)34-29(31)27-10-4-12-38-27/h1-14,24-25,32H,15-19H2,(H2,30,33)(H2,31,34)/t24-,25-/m0/s1 | Definition date: | 2014-06-18 | Last modified: | 2014-08-15 | Release date: | 2014-08-20 | Identifier: | N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide |
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