![9B5 9B5](https://data.pdbj.org/pdbjplus/data/cc/svg/9B5.svg) | 9B5 | Name: | (2~{S},4~{R})-1-[(2~{S})-2-acetamidopropanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C21 H26 N4 O4 S | SMILES: | C[CH](NC(C)=O)C(=O)N1C[CH](O)C[CH]1C(=O)NCc2ccc(cc2)c3scnc3C | InChi: | InChI=1S/C21H26N4O4S/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(28)18-8-17(27)10-25(18)21(29)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,28)(H,24,26)/t13-,17+,18-/m0/s1 | Definition date: | 2017-05-05 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | (2~{S},4~{R})-1-[(2~{S})-2-acetamidopropanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![9D2 9D2](https://data.pdbj.org/pdbjplus/data/cc/svg/9D2.svg) | 9D2 | Name: | 2-ethyl-2-(hydroxymethyl)propane-1,3-diol | Formula: | C6 H14 O3 | SMILES: | CCC(CO)(CO)CO | InChi: | InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3 | Definition date: | 2017-05-09 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | 2-ethyl-2-(hydroxymethyl)propane-1,3-diol |
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![9NQ 9NQ](https://data.pdbj.org/pdbjplus/data/cc/svg/9NQ.svg) | 9NQ | Name: | Leniolisib | Formula: | C21 H25 F3 N6 O2 | SMILES: | CCC(=O)N1CC[CH](C1)Nc2ncnc3CCN(Cc23)c4cnc(OC)c(c4)C(F)(F)F | InChi: | InChI=1S/C21H25F3N6O2/c1-3-18(31)30-6-4-13(10-30)28-19-15-11-29(7-5-17(15)26-12-27-19)14-8-16(21(22,23)24)20(32-2)25-9-14/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,26,27,28)/t13-/m0/s1 | Definition date: | 2017-06-12 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | 1-[(3~{S})-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one |
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![78S 78S](https://data.pdbj.org/pdbjplus/data/cc/svg/78S.svg) | 78S | Name: | (2R)-3-dimethoxyphosphoryloxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid | Formula: | C20 H35 O7 P | SMILES: | CO[P](=O)(OC)OC[CH](OCC=C(C)CCC=C(C)CCC=C(C)C)C(O)=O | InChi: | InChI=1S/C20H35O7P/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-26-19(20(21)22)15-27-28(23,24-5)25-6/h9,11,13,19H,7-8,10,12,14-15H2,1-6H3,(H,21,22)/b17-11+,18-13-/t19-/m1/s1 | Definition date: | 2016-09-23 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | (2~{R})-3-dimethoxyphosphoryloxy-2-[(2~{Z},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid |
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![7B5 7B5](https://data.pdbj.org/pdbjplus/data/cc/svg/7B5.svg) | 7B5 | Name: | methyl (2R)-3-dimethoxyphosphoryloxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoate | Formula: | C21 H37 O7 P | SMILES: | COC(=O)[CH](CO[P](=O)(OC)OC)OCC=C(C)CCC=C(C)CCC=C(C)C | InChi: | InChI=1S/C21H37O7P/c1-17(2)10-8-11-18(3)12-9-13-19(4)14-15-27-20(21(22)24-5)16-28-29(23,25-6)26-7/h10,12,14,20H,8-9,11,13,15-16H2,1-7H3/b18-12+,19-14-/t20-/m1/s1 | Definition date: | 2016-09-28 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | methyl (2~{R})-3-dimethoxyphosphoryloxy-2-[(2~{Z},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoate |
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![GF5 GF5](https://data.pdbj.org/pdbjplus/data/cc/svg/GF5.svg) | GF5 | Name: | (2S)-2-azanyl-5-[[(2R)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid | Formula: | C12 H20 F N3 O8 S2 | SMILES: | N[CH](CCC(=O)N[CH](CSCC[S](F)(=O)=O)C(=O)NCC(O)=O)C(O)=O | InChi: | InChI=1S/C12H20FN3O8S2/c13-26(23,24)4-3-25-6-8(11(20)15-5-10(18)19)16-9(17)2-1-7(14)12(21)22/h7-8H,1-6,14H2,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1 | Definition date: | 2017-08-01 | Last modified: | 2017-09-08 | Release date: | 2017-09-13 | Identifier: | (2~{S})-2-azanyl-5-[[(2~{R})-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid |
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![BUU BUU](https://data.pdbj.org/pdbjplus/data/cc/svg/BUU.svg) | BUU | Name: | (2~{S})-2-azanyl-3-[3-[(2-nitrophenyl)methoxy]-4-oxidanyl-phenyl]propanoic acid | Formula: | C16 H16 N2 O6 | SMILES: | N[CH](Cc1ccc(O)c(OCc2ccccc2[N+]([O-])=O)c1)C(O)=O | InChi: | InChI=1S/C16H16N2O6/c17-12(16(20)21)7-10-5-6-14(19)15(8-10)24-9-11-3-1-2-4-13(11)18(22)23/h1-6,8,12,19H,7,9,17H2,(H,20,21)/t12-/m0/s1 | Definition date: | 2016-06-04 | Last modified: | 2017-09-08 | Release date: | 2017-09-13 | Identifier: | (2~{S})-2-azanyl-3-[3-[(2-nitrophenyl)methoxy]-4-oxidanyl-phenyl]propanoic acid |
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![9O2 9O2](https://data.pdbj.org/pdbjplus/data/cc/svg/9O2.svg) | 9O2 | Name: | ~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide | Formula: | C25 H25 N5 O | SMILES: | CCC(=O)Nc1cccc(c1)c2nc(NCCc3ccccc3)c4ccc(N)cc4n2 | InChi: | InChI=1S/C25H25N5O/c1-2-23(31)28-20-10-6-9-18(15-20)24-29-22-16-19(26)11-12-21(22)25(30-24)27-14-13-17-7-4-3-5-8-17/h3-12,15-16H,2,13-14,26H2,1H3,(H,28,31)(H,27,29,30) | Definition date: | 2017-06-15 | Last modified: | 2017-09-01 | Release date: | 2017-09-06 | Identifier: | ~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide |
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![9YQ 9YQ](https://data.pdbj.org/pdbjplus/data/cc/svg/9YQ.svg) | 9YQ | Name: | 4-(propanoylamino)-~{N}-[4-[(5,8,11-trimethyl-6-oxidanylidene-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]benzamide | Formula: | C30 H29 N7 O3 | SMILES: | CCC(=O)Nc1ccc(cc1)C(=O)Nc2ccc(Nc3ncc4N(C)C(=O)c5cc(C)ccc5N(C)c4n3)cc2 | InChi: | InChI=1S/C30H29N7O3/c1-5-26(38)32-20-9-7-19(8-10-20)28(39)33-21-11-13-22(14-12-21)34-30-31-17-25-27(35-30)36(3)24-15-6-18(2)16-23(24)29(40)37(25)4/h6-17H,5H2,1-4H3,(H,32,38)(H,33,39)(H,31,34,35) | Definition date: | 2017-08-03 | Last modified: | 2017-09-01 | Release date: | 2017-09-06 | Identifier: | 4-(propanoylamino)-~{N}-[4-[(5,8,11-trimethyl-6-oxidanylidene-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]benzamide |
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![9ZS 9ZS](https://data.pdbj.org/pdbjplus/data/cc/svg/9ZS.svg) | 9ZS | Name: | N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide | Formula: | C16 H12 Cl2 N4 O | SMILES: | c1(c(cccc1Cl)Cl)c4nc3c(ccnc3NC(C2CC2)=O)n4 | InChi: | InChI=1S/C16H12Cl2N4O/c17-9-2-1-3-10(18)12(9)14-20-11-6-7-19-15(13(11)21-14)22-16(23)8-4-5-8/h1-3,6-8H,4-5H2,(H,20,21)(H,19,22,23) | Definition date: | 2017-06-29 | Last modified: | 2017-09-01 | Release date: | 2017-09-06 | Identifier: | N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide |
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![AWQ AWQ](https://data.pdbj.org/pdbjplus/data/cc/svg/AWQ.svg) | AWQ | Name: | 3-[4-(2-hydroxy-2-oxoethyl)-2,5-dimethyl-1~{H}-pyrrol-3-yl]propanoic acid | Formula: | C11 H15 N O4 | SMILES: | Cc1[nH]c(C)c(CC(O)=O)c1CCC(O)=O | InChi: | InChI=1S/C11H15NO4/c1-6-8(3-4-10(13)14)9(5-11(15)16)7(2)12-6/h12H,3-5H2,1-2H3,(H,13,14)(H,15,16) | Definition date: | 2017-08-29 | Last modified: | 2017-09-01 | Release date: | 2017-09-06 | Identifier: | 3-[4-(2-hydroxy-2-oxoethyl)-2,5-dimethyl-1~{H}-pyrrol-3-yl]propanoic acid |
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![OKG OKG](https://data.pdbj.org/pdbjplus/data/cc/svg/OKG.svg) | OKG | Name: | 4-peroxy-4-oxobutanoic acid | Formula: | C4 H5 O5 | SMILES: | OC(=O)CCC(=O)O[O-] | InChi: | InChI=1S/C4H6O5/c5-3(6)1-2-4(7)9-8/h8H,1-2H2,(H,5,6)/p-1 | Definition date: | 2017-08-09 | Last modified: | 2017-09-01 | Release date: | 2017-09-06 | Identifier: | 2-(3-carboxypropanoyl)dioxidan-1-ide |
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![81C 81C](https://data.pdbj.org/pdbjplus/data/cc/svg/81C.svg) | 81C | Name: | N-[5-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-2-(4-ethylpiperazin-1-yl)-4-methoxy-phenyl]prop-2-enamide | Formula: | C29 H36 Cl N7 O4 S | SMILES: | CCN1CCN(CC1)c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4[S](=O)(=O)C(C)C)n3)cc2NC(=O)C=C | InChi: | InChI=1S/C29H36ClN7O4S/c1-6-27(38)32-22-16-23(25(41-5)17-24(22)37-14-12-36(7-2)13-15-37)34-29-31-18-20(30)28(35-29)33-21-10-8-9-11-26(21)42(39,40)19(3)4/h6,8-11,16-19H,1,7,12-15H2,2-5H3,(H,32,38)(H2,31,33,34,35) | Definition date: | 2017-03-15 | Last modified: | 2017-09-01 | Release date: | 2017-09-06 | Identifier: | ~{N}-[5-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-2-(4-ethylpiperazin-1-yl)-4-methoxy-phenyl]prop-2-enamide |
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![8X7 8X7](https://data.pdbj.org/pdbjplus/data/cc/svg/8X7.svg) | 8X7 | Name: | 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one | Formula: | C27 H32 N8 O2 | SMILES: | CN5CCN(c1ccc(cc1)Nc2nc3c(cn2)C(=O)N(CC=C)N3c4nc(C(C)(C)O)ccc4)CC5 | InChi: | InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31) | Definition date: | 2017-03-17 | Last modified: | 2017-08-18 | Release date: | 2017-08-23 | Identifier: | 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
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![8ZG 8ZG](https://data.pdbj.org/pdbjplus/data/cc/svg/8ZG.svg) | 8ZG | Name: | 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one | Formula: | C21 H20 Cl F N4 O | SMILES: | c3(c1ccccc1F)c(Cl)cc4c(N2CCN(CC2)C(=O)CC)ncnc4c3 | InChi: | InChI=1S/C21H20ClFN4O/c1-2-20(28)26-7-9-27(10-8-26)21-16-11-17(22)15(12-19(16)24-13-25-21)14-5-3-4-6-18(14)23/h3-6,11-13H,2,7-10H2,1H3 | Definition date: | 2017-03-22 | Last modified: | 2017-08-18 | Release date: | 2017-08-23 | Identifier: | 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one |
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![91D 91D](https://data.pdbj.org/pdbjplus/data/cc/svg/91D.svg) | 91D | Name: | N~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide | Formula: | C26 H30 Cl F N6 O2 | SMILES: | c4c1c(nc(NCCC(=O)N(C)C)nc1N2CCN(CC2)C(=O)CC)cc(c3c(F)cccc3)c4Cl | InChi: | InChI=1S/C26H30ClFN6O2/c1-4-23(35)33-11-13-34(14-12-33)25-19-15-20(27)18(17-7-5-6-8-21(17)28)16-22(19)30-26(31-25)29-10-9-24(36)32(2)3/h5-8,15-16H,4,9-14H2,1-3H3,(H,29,30,31) | Definition date: | 2017-03-27 | Last modified: | 2017-08-18 | Release date: | 2017-08-23 | Identifier: | N~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide |
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![91G 91G](https://data.pdbj.org/pdbjplus/data/cc/svg/91G.svg) | 91G | Name: | N~3~-[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide | Formula: | C30 H33 Cl N6 O3 | SMILES: | N1(CCN(CC1)C(CC)=O)c5c2c(cc(c(Cl)c2)c3cc(O)cc4c3cccc4)nc(NCCC(=O)N(C)C)n5 | InChi: | InChI=1S/C30H33ClN6O3/c1-4-27(39)36-11-13-37(14-12-36)29-24-17-25(31)23(22-16-20(38)15-19-7-5-6-8-21(19)22)18-26(24)33-30(34-29)32-10-9-28(40)35(2)3/h5-8,15-18,38H,4,9-14H2,1-3H3,(H,32,33,34) | Definition date: | 2017-03-27 | Last modified: | 2017-08-18 | Release date: | 2017-08-23 | Identifier: | N~3~-[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide |
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![9J1 9J1](https://data.pdbj.org/pdbjplus/data/cc/svg/9J1.svg) | 9J1 | Name: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylpropanamide | Formula: | C28 H26 N4 O5 | SMILES: | N1(C=CC(NC1=O)=O)CCOc2c(cccc2)Oc3cc(N(C(=O)CC)C)c4c(c3C)cc(cc4)C#N | InChi: | InChI=1S/C28H26N4O5/c1-4-27(34)31(3)22-16-25(18(2)21-15-19(17-29)9-10-20(21)22)37-24-8-6-5-7-23(24)36-14-13-32-12-11-26(33)30-28(32)35/h5-12,15-16H,4,13-14H2,1-3H3,(H,30,33,35) | Definition date: | 2017-05-12 | Last modified: | 2017-08-18 | Release date: | 2017-08-23 | Identifier: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylpropanamide |
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![B8P B8P](https://data.pdbj.org/pdbjplus/data/cc/svg/B8P.svg) | B8P | Name: | 3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid | Formula: | C17 H15 N3 O3 | SMILES: | c21ccccc1nc(CCC(=O)O)c(n2)OCc3ccccn3 | InChi: | InChI=1S/C17H15N3O3/c21-16(22)9-8-15-17(23-11-12-5-3-4-10-18-12)20-14-7-2-1-6-13(14)19-15/h1-7,10H,8-9,11H2,(H,21,22) | Definition date: | 2017-08-07 | Last modified: | 2017-08-18 | Release date: | 2017-08-23 | Identifier: | 3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid |
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![8VS 8VS](https://data.pdbj.org/pdbjplus/data/cc/svg/8VS.svg) | 8VS | Name: | 4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide | Formula: | C34 H39 Br N4 O4 | SMILES: | N(C(C(c1ccccc1)C2CCCCC2)=O)C(C(=O)NC(C(=O)NC)Cc3cc(ccc3)Br)Cc4ccc(cc4)C(=O)N | InChi: | InChI=1S/C34H39BrN4O4/c1-37-32(41)28(21-23-9-8-14-27(35)19-23)38-33(42)29(20-22-15-17-26(18-16-22)31(36)40)39-34(43)30(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2,4-5,8-11,14-19,25,28-30H,3,6-7,12-13,20-21H2,1H3,(H2,36,40)(H,37,41)(H,38,42)(H,39,43)/t28-,29-,30-/m0/s1 | Definition date: | 2017-03-07 | Last modified: | 2017-08-11 | Release date: | 2017-08-16 | Identifier: | 4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide |
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![K87 K87](https://data.pdbj.org/pdbjplus/data/cc/svg/K87.svg) | K87 | Name: | 3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxy-N-(2,6-dimethylphenyl)propanamide | Formula: | C36 H38 N6 O6 S | SMILES: | COc1ccccc1Oc2c(N[S](=O)(=O)c3ccc(cc3)C(C)(C)C)nc(nc2OCCC(=O)Nc4c(C)cccc4C)c5ncccn5 | InChi: | InChI=1S/C36H38N6O6S/c1-23-11-9-12-24(2)30(23)39-29(43)19-22-47-35-31(48-28-14-8-7-13-27(28)46-6)32(40-34(41-35)33-37-20-10-21-38-33)42-49(44,45)26-17-15-25(16-18-26)36(3,4)5/h7-18,20-21H,19,22H2,1-6H3,(H,39,43)(H,40,41,42) | Definition date: | 2017-03-09 | Last modified: | 2017-08-11 | Release date: | 2017-08-16 | Identifier: | 3-[6-[(4-~{tert}-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxy-~{N}-(2,6-dimethylphenyl)propanamide |
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![79F 79F](https://data.pdbj.org/pdbjplus/data/cc/svg/79F.svg) | 79F | Name: | (2~{S})-4-methyl-2-[[(2~{S})-3-oxidanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]pentanoic acid | Formula: | C18 H28 N3 O8 P | SMILES: | CC(C)C[CH](NC(=O)[CH](CO)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O | InChi: | InChI=1S/C18H28N3O8P/c1-12(2)8-14(17(24)25)20-16(23)15(9-22)21-30(27,28)11-19-18(26)29-10-13-6-4-3-5-7-13/h3-7,12,14-15,22H,8-11H2,1-2H3,(H,19,26)(H,20,23)(H,24,25)(H2,21,27,28)/t14-,15-/m0/s1 | Definition date: | 2016-09-16 | Last modified: | 2017-08-11 | Release date: | 2017-08-16 | Identifier: | (2~{S})-4-methyl-2-[[(2~{S})-3-oxidanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]pentanoic acid |
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![7K0 7K0](https://data.pdbj.org/pdbjplus/data/cc/svg/7K0.svg) | 7K0 | Name: | (2~{S})-2-[[(2~{S})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid | Formula: | C18 H29 N4 O7 P | SMILES: | CC(C)C[CH](NC(=O)[CH](CN)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O | InChi: | InChI=1S/C18H29N4O7P/c1-12(2)8-14(17(24)25)21-16(23)15(9-19)22-30(27,28)11-20-18(26)29-10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,19H2,1-2H3,(H,20,26)(H,21,23)(H,24,25)(H2,22,27,28)/t14-,15-/m0/s1 | Definition date: | 2016-11-03 | Last modified: | 2017-08-11 | Release date: | 2017-08-16 | Identifier: | (2~{S})-2-[[(2~{S})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid |
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![7A2 7A2](https://data.pdbj.org/pdbjplus/data/cc/svg/7A2.svg) | 7A2 | Name: | 3-C-carboxy-2-deoxy-L-threo-pentaric acid | Formula: | C6 H8 O8 | SMILES: | C(CC(C(O)C(O)=O)(C(=O)O)O)(=O)O | InChi: | InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)/t3-,6-/m0/s1 | Definition date: | 2016-09-20 | Last modified: | 2017-08-04 | Release date: | 2017-08-09 | Identifier: | 3-C-carboxy-2-deoxy-L-threo-pentaric acid |
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![7A3 7A3](https://data.pdbj.org/pdbjplus/data/cc/svg/7A3.svg) | 7A3 | Name: | 3-C-carboxy-2-deoxy-D-erythro-pentaric acid | Formula: | C6 H8 O8 | SMILES: | OC(CC(=O)O)(C(C(O)=O)O)C(O)=O | InChi: | InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)/t3-,6+/m1/s1 | Definition date: | 2016-09-20 | Last modified: | 2017-08-04 | Release date: | 2017-08-09 | Identifier: | 3-C-carboxy-2-deoxy-D-erythro-pentaric acid |
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