![6FH 6FH](https://data.pdbj.org/pdbjplus/data/cc/svg/6FH.svg) | 6FH | Name: | (6~{S})-6-methyloctanoic acid | Formula: | C9 H18 O2 | SMILES: | CC[CH](C)CCCCC(O)=O | InChi: | InChI=1S/C9H18O2/c1-3-8(2)6-4-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m0/s1 | Definition date: | 2016-04-13 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | (6~{S})-6-methyloctanoic acid |
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![6KK 6KK](https://data.pdbj.org/pdbjplus/data/cc/svg/6KK.svg) | 6KK | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate | Formula: | C32 H48 N2 O8 S | SMILES: | c1(ccc(cc1)S(=O)(N(CC(O)C(NC(OC2COC3OCCC23)=O)CC64CC5CC(C4)CC(C5)C6)CC(C)C)=O)OC | InChi: | InChI=1S/C32H48N2O8S/c1-20(2)17-34(43(37,38)25-6-4-24(39-3)5-7-25)18-28(35)27(16-32-13-21-10-22(14-32)12-23(11-21)15-32)33-31(36)42-29-19-41-30-26(29)8-9-40-30/h4-7,20-23,26-30,35H,8-19H2,1-3H3,(H,33,36)/t21-,22+,23-,26-,27-,28+,29-,30+,32-/m0/s1 | Definition date: | 2016-04-22 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate |
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![6KQ 6KQ](https://data.pdbj.org/pdbjplus/data/cc/svg/6KQ.svg) | 6KQ | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate | Formula: | C35 H46 N2 O8 S | SMILES: | c1(ccc(cc1)S(=O)(N(Cc2ccccc2)CC(O)C(CC53CC4CC(C3)CC(C4)C5)NC(OC7C6CCOC6OC7)=O)=O)OC | InChi: | InChI=1S/C35H46N2O8S/c1-42-27-7-9-28(10-8-27)46(40,41)37(20-23-5-3-2-4-6-23)21-31(38)30(19-35-16-24-13-25(17-35)15-26(14-24)18-35)36-34(39)45-32-22-44-33-29(32)11-12-43-33/h2-10,24-26,29-33,38H,11-22H2,1H3,(H,36,39)/t24-,25+,26-,29-,30-,31+,32-,33+,35-/m0/s1 | Definition date: | 2016-04-22 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate |
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![6KR 6KR](https://data.pdbj.org/pdbjplus/data/cc/svg/6KR.svg) | 6KR | Name: | (3R,3aS,7aR)-hexahydro-4H-furo[2,3-b]pyran-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate | Formula: | C33 H50 N2 O8 S | SMILES: | O=S(c1ccc(cc1)OC)(N(CC(C)C)CC(O)C(NC(OC2COC3OCCCC23)=O)CC64CC5CC(C4)CC(C5)C6)=O | InChi: | InChI=1S/C33H50N2O8S/c1-21(2)18-35(44(38,39)26-8-6-25(40-3)7-9-26)19-29(36)28(17-33-14-22-11-23(15-33)13-24(12-22)16-33)34-32(37)43-30-20-42-31-27(30)5-4-10-41-31/h6-9,21-24,27-31,36H,4-5,10-20H2,1-3H3,(H,34,37)/t22-,23+,24-,27-,28-,29+,30-,31+,33-/m0/s1 | Definition date: | 2016-04-22 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | (3R,3aS,7aR)-hexahydro-4H-furo[2,3-b]pyran-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate |
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![6ND 6ND](https://data.pdbj.org/pdbjplus/data/cc/svg/6ND.svg) | 6ND | Name: | 5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide | Formula: | C18 H17 F2 N5 O3 S2 | SMILES: | c2(c(nc(C(NCc1cnc(s1)C)=O)cn2)C)CNS(c3cc(c(F)cc3)F)(=O)=O | InChi: | InChI=1S/C18H17F2N5O3S2/c1-10-16(9-24-30(27,28)13-3-4-14(19)15(20)5-13)22-8-17(25-10)18(26)23-7-12-6-21-11(2)29-12/h3-6,8,24H,7,9H2,1-2H3,(H,23,26) | Definition date: | 2016-05-10 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | 5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide |
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![6OQ 6OQ](https://data.pdbj.org/pdbjplus/data/cc/svg/6OQ.svg) | 6OQ | Name: | 2-ethyl-1,2-dihydro-1,2-azaborinine | Formula: | C6 H10 B N | SMILES: | CCB1NC=CC=C1 | InChi: | InChI=1S/C6H10BN/c1-2-7-5-3-4-6-8-7/h3-6,8H,2H2,1H3 | Definition date: | 2016-05-13 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | 2-ethyl-1,2-dihydro-1,2-azaborinine |
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![T51 T51](https://data.pdbj.org/pdbjplus/data/cc/svg/T51.svg) | T51 | Name: | N-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide | Formula: | C34 H35 N5 O5 | SMILES: | O=[N+](c1cc(ccc1)C(=O)Nc2c(cccc2)OCc3ccccc3CNC(=O)c4ccc(cc4)CN5CCN(CC5)C)[O-] | InChi: | InChI=1S/C34H35N5O5/c1-37-17-19-38(20-18-37)23-25-13-15-26(16-14-25)33(40)35-22-28-7-2-3-8-29(28)24-44-32-12-5-4-11-31(32)36-34(41)27-9-6-10-30(21-27)39(42)43/h2-16,21H,17-20,22-24H2,1H3,(H,35,40)(H,36,41) | Definition date: | 2015-09-30 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | N-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide |
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![T53 T53](https://data.pdbj.org/pdbjplus/data/cc/svg/T53.svg) | T53 | Name: | N-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide | Formula: | C34 H35 N5 O5 | SMILES: | O=[N+]([O-])c1cccc(c1)C(=O)Nc2ccccc2OCc3cc(ccc3)CNC(=O)c4ccc(cc4)CN5CCN(CC5)C | InChi: | InChI=1S/C34H35N5O5/c1-37-16-18-38(19-17-37)23-25-12-14-28(15-13-25)33(40)35-22-26-6-4-7-27(20-26)24-44-32-11-3-2-10-31(32)36-34(41)29-8-5-9-30(21-29)39(42)43/h2-15,20-21H,16-19,22-24H2,1H3,(H,35,40)(H,36,41) | Definition date: | 2015-09-30 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | N-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide |
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![8DT 8DT](https://data.pdbj.org/pdbjplus/data/cc/svg/8DT.svg) | 8DT | Name: | 5-(3-(acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine | Formula: | C14 H20 N3 O9 P | SMILES: | CC(=O)NCC=CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O | InChi: | InChI=1S/C14H20N3O9P/c1-8(18)15-4-2-3-9-6-17(14(21)16-13(9)20)12-5-10(19)11(26-12)7-25-27(22,23)24/h2-3,6,10-12,19H,4-5,7H2,1H3,(H,15,18)(H,16,20,21)(H2,22,23,24)/b3-2+/t10-,11+,12+/m0/s1 | Definition date: | 2016-09-12 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | [(2~{R},3~{S},5~{R})-5-[5-[(~{E})-3-acetamidoprop-1-enyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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![6QH 6QH](https://data.pdbj.org/pdbjplus/data/cc/svg/6QH.svg) | 6QH | Name: | 5-(3-chloranyl-4-methoxy-phenyl)-~{N}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide | Formula: | C16 H16 Cl N5 O3 | SMILES: | COc1ccc(cc1Cl)c2ocnc2C(=O)NCCCn3cncn3 | InChi: | InChI=1S/C16H16ClN5O3/c1-24-13-4-3-11(7-12(13)17)15-14(20-10-25-15)16(23)19-5-2-6-22-9-18-8-21-22/h3-4,7-10H,2,5-6H2,1H3,(H,19,23) | Definition date: | 2016-05-24 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | 5-(3-chloranyl-4-methoxy-phenyl)-~{N}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide |
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![6SU 6SU](https://data.pdbj.org/pdbjplus/data/cc/svg/6SU.svg) | 6SU | Name: | methyl 3-(methylsulfonylamino)benzoate | Formula: | C9 H11 N O4 S | SMILES: | COC(=O)c1cccc(N[S](C)(=O)=O)c1 | InChi: | InChI=1S/C9H11NO4S/c1-14-9(11)7-4-3-5-8(6-7)10-15(2,12)13/h3-6,10H,1-2H3 | Definition date: | 2016-06-15 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | methyl 3-(methylsulfonylamino)benzoate |
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![6U5 6U5](https://data.pdbj.org/pdbjplus/data/cc/svg/6U5.svg) | 6U5 | Name: | ~{N}-(1-methylindazol-6-yl)butane-1-sulfonamide | Formula: | C12 H17 N3 O2 S | SMILES: | CCCC[S](=O)(=O)Nc1ccc2cnn(C)c2c1 | InChi: | InChI=1S/C12H17N3O2S/c1-3-4-7-18(16,17)14-11-6-5-10-9-13-15(2)12(10)8-11/h5-6,8-9,14H,3-4,7H2,1-2H3 | Definition date: | 2016-06-24 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | ~{N}-(1-methylindazol-6-yl)butane-1-sulfonamide |
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![6XR 6XR](https://data.pdbj.org/pdbjplus/data/cc/svg/6XR.svg) | 6XR | Name: | (4~{R})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid | Formula: | C13 H10 N2 O3 S2 | SMILES: | OC(=O)[CH]1CSC(=N1)c2csc(n2)c3ccccc3O | InChi: | InChI=1S/C13H10N2O3S2/c16-10-4-2-1-3-7(10)11-14-8(5-19-11)12-15-9(6-20-12)13(17)18/h1-5,9,16H,6H2,(H,17,18)/t9-/m0/s1 | Definition date: | 2016-07-19 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | (4~{R})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
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![6Y4 6Y4](https://data.pdbj.org/pdbjplus/data/cc/svg/6Y4.svg) | 6Y4 | Name: | [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol | Formula: | C21 H22 F3 N5 O3 S | SMILES: | CC(C)[CH]1N(Cc2cn(nc12)c3cccc(c3)[S](C)(=O)=O)c4ncc(CO)c(n4)C(F)(F)F | InChi: | InChI=1S/C21H22F3N5O3S/c1-12(2)18-17-14(10-29(27-17)15-5-4-6-16(7-15)33(3,31)32)9-28(18)20-25-8-13(11-30)19(26-20)21(22,23)24/h4-8,10,12,18,30H,9,11H2,1-3H3/t18-/m1/s1 | Definition date: | 2016-07-21 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol |
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![6Y8 6Y8](https://data.pdbj.org/pdbjplus/data/cc/svg/6Y8.svg) | 6Y8 | Name: | (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole | Formula: | C20 H22 F N5 O3 S | SMILES: | COc1ncc(F)c(n1)N2Cc3cn(nc3[CH]2C(C)C)c4cccc(c4)[S](C)(=O)=O | InChi: | InChI=1S/C20H22FN5O3S/c1-12(2)18-17-13(10-25(18)19-16(21)9-22-20(23-19)29-3)11-26(24-17)14-6-5-7-15(8-14)30(4,27)28/h5-9,11-12,18H,10H2,1-4H3/t18-/m1/s1 | Definition date: | 2016-07-22 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole |
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![71P 71P](https://data.pdbj.org/pdbjplus/data/cc/svg/71P.svg) | 71P | Name: | ~{N}-[(7~{R})-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5~{H}-benzo[a]heptalen-7-yl]ethanamide | Formula: | C22 H25 N O5 S | SMILES: | COc1cc2CC[CH](NC(C)=O)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC | InChi: | InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m1/s1 | Definition date: | 2016-08-12 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | ~{N}-[(7~{R})-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5~{H}-benzo[a]heptalen-7-yl]ethanamide |
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![B05 B05](https://data.pdbj.org/pdbjplus/data/cc/svg/B05.svg) | B05 | Name: | N-[2-(benzyloxy)phenyl]-3-nitrobenzamide | Formula: | C20 H16 N2 O4 | SMILES: | O=[N+]([O-])c3cc(C(=O)Nc1c(cccc1)OCc2ccccc2)ccc3 | InChi: | InChI=1S/C20H16N2O4/c23-20(16-9-6-10-17(13-16)22(24)25)21-18-11-4-5-12-19(18)26-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,21,23) | Definition date: | 2015-09-29 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | N-[2-(benzyloxy)phenyl]-3-nitrobenzamide |
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![5KW 5KW](https://data.pdbj.org/pdbjplus/data/cc/svg/5KW.svg) | 5KW | Name: | 2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide | Formula: | C23 H24 Cl2 N6 O2 | SMILES: | CN1CCN(CC1)c2ccc(cc2)Nc4ncc(Cl)c(Oc3ccccc3NC(CCl)=O)n4 | InChi: | InChI=1S/C23H24Cl2N6O2/c1-30-10-12-31(13-11-30)17-8-6-16(7-9-17)27-23-26-15-18(25)22(29-23)33-20-5-3-2-4-19(20)28-21(32)14-24/h2-9,15H,10-14H2,1H3,(H,28,32)(H,26,27,29) | Definition date: | 2015-10-15 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | 2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide |
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![GOP GOP](https://data.pdbj.org/pdbjplus/data/cc/svg/GOP.svg) | GOP | Name: | Glucopine | Formula: | C11 H22 N2 O8 | SMILES: | NC(=O)CC[CH](NC[CH](O)[CH](O)[CH](O)[CH](O)CO)C(O)=O | InChi: | InChI=1S/C11H22N2O8/c12-8(17)2-1-5(11(20)21)13-3-6(15)9(18)10(19)7(16)4-14/h5-7,9-10,13-16,18-19H,1-4H2,(H2,12,17)(H,20,21)/t5-,6-,7+,9+,10+/m0/s1 | Definition date: | 2016-06-12 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | (2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{S},3~{R},4~{R},5~{R})-2,3,4,5,6-pentakis(oxidanyl)hexyl]amino]pentanoic acid |
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![4HE 4HE](https://data.pdbj.org/pdbjplus/data/cc/svg/4HE.svg) | 4HE | Name: | (4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron | Formula: | C40 H36 Cl Fe N4 O4 | SMILES: | O=C(O)CCC1=C(C=7N2C1=CC5=N4[Fe]26(n3c(c([C@H]=C)c(C)c3C=C4C(C)=C5CCC(O)=O)C=C8N6=C(C=7)C(=C8C)C=C)c9ccc(cc9)Cl)C | InChi: | InChI=1S/C34H34N4O4.C6H4Cl.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25 | Definition date: | 2016-03-14 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | (4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron |
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![ID1 ID1](https://data.pdbj.org/pdbjplus/data/cc/svg/ID1.svg) | ID1 | Name: | Imipenem | Formula: | C12 H19 N3 O4 S | SMILES: | C[CH](O)[CH](C=O)[CH]1C[CH](SCCN=CN)C(=N1)C(O)=O | InChi: | InChI=1S/C12H19N3O4S/c1-7(17)8(5-16)9-4-10(11(15-9)12(18)19)20-3-2-14-6-13/h5-10,17H,2-4H2,1H3,(H2,13,14)(H,18,19)/t7-,8-,9-,10-/m1/s1 | Definition date: | 2015-11-14 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | (2~{R},4~{R})-4-[2-[(~{Z})-azanylmethylideneamino]ethylsulfanyl]-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid |
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![VGX VGX](https://data.pdbj.org/pdbjplus/data/cc/svg/VGX.svg) | VGX | Name: | 4-hydroxy-2-oxobutanoic acid | Formula: | C4 H6 O4 | SMILES: | C(CC(=O)C(O)=O)O | InChi: | InChI=1S/C4H6O4/c5-2-1-3(6)4(7)8/h5H,1-2H2,(H,7,8) | Definition date: | 2016-08-03 | Last modified: | 2016-09-09 | Release date: | 2016-09-14 | Identifier: | 4-hydroxy-2-oxobutanoic acid |
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![X28 X28](https://data.pdbj.org/pdbjplus/data/cc/svg/X28.svg) | X28 | Name: | 3-(5'-BENZYL-2'-CARBAMOYLBIPHENYL-3-YL)PROPANOIC ACID | Formula: | C23 H21 N O3 | SMILES: | NC(=O)c1ccc(Cc2ccccc2)cc1c3cccc(CCC(O)=O)c3 | InChi: | InChI=1S/C23H21NO3/c24-23(27)20-11-9-18(13-16-5-2-1-3-6-16)15-21(20)19-8-4-7-17(14-19)10-12-22(25)26/h1-9,11,14-15H,10,12-13H2,(H2,24,27)(H,25,26) | Definition date: | 2016-04-29 | Last modified: | 2016-09-09 | Release date: | 2016-09-14 | Identifier: | 3-[3-[2-aminocarbonyl-5-(phenylmethyl)phenyl]phenyl]propanoic acid |
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![75C 75C](https://data.pdbj.org/pdbjplus/data/cc/svg/75C.svg) | 75C | Name: | 5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine | Formula: | C25 H44 N9 O13 P S2 | SMILES: | O=P(O)(O)OCC(C(C(NCCC(NCCSC(C(N)CO)CS(NCC3C(O)C(O)C(n2c1ncnc(c1nc2)N)O3)(=O)=O)=O)=O)O)(C)C | InChi: | InChI=1S/C25H44N9O13PS2/c1-25(2,10-46-48(41,42)43)20(39)23(40)29-4-3-16(36)28-5-6-49-15(13(26)8-35)9-50(44,45)33-7-14-18(37)19(38)24(47-14)34-12-32-17-21(27)30-11-31-22(17)34/h11-15,18-20,24,33,35,37-39H,3-10,26H2,1-2H3,(H,28,36)(H,29,40)(H2,27,30,31)(H2,41,42,43)/t13-,14+,15-,18+,19+,20-,24+/m0/s1 | Definition date: | 2016-08-26 | Last modified: | 2016-09-09 | Release date: | 2016-09-14 | Identifier: | 5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine |
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![9JH 9JH](https://data.pdbj.org/pdbjplus/data/cc/svg/9JH.svg) | 9JH | Name: | 4-BENZYLBENZAMIDE | Formula: | C14 H13 N O | SMILES: | NC(=O)c1ccc(Cc2ccccc2)cc1 | InChi: | InChI=1S/C14H13NO/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16) | Definition date: | 2016-04-29 | Last modified: | 2016-09-09 | Release date: | 2016-09-14 | Identifier: | 4-(phenylmethyl)benzamide |
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