![1I1 1I1](https://data.pdbj.org/pdbjplus/data/cc/svg/1I1.svg) | 1I1 | Name: | ((2-(6-amino-9H-purin-9-yl)ethyl)-L-seryl)phosphoramidic acid | Formula: | C10 H16 N7 O5 P | SMILES: | Nc1ncnc2n(CCN[CH](CO)C(=O)N[P](O)(O)=O)cnc12 | InChi: | InChI=1S/C10H16N7O5P/c11-8-7-9(14-4-13-8)17(5-15-7)2-1-12-6(3-18)10(19)16-23(20,21)22/h4-6,12,18H,1-3H2,(H2,11,13,14)(H3,16,19,20,21,22)/t6-/m0/s1 | Definition date: | 2021-06-10 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | [[(2~{S})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-oxidanyl-propanoyl]amino]phosphonic acid |
|
![1I4 1I4](https://data.pdbj.org/pdbjplus/data/cc/svg/1I4.svg) | 1I4 | Name: | (R)-N-(1-(6-amino-9H-purin-9-yl)propan-2-yl)-N-(2-phosphonoethyl)glycine | Formula: | C12 H19 N6 O5 P | SMILES: | C[CH](Cn1cnc2c(N)ncnc12)N(CC[P](O)(O)=O)CC(O)=O | InChi: | InChI=1S/C12H19N6O5P/c1-8(17(5-9(19)20)2-3-24(21,22)23)4-18-7-16-10-11(13)14-6-15-12(10)18/h6-8H,2-5H2,1H3,(H,19,20)(H2,13,14,15)(H2,21,22,23)/t8-/m1/s1 | Definition date: | 2021-06-10 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 2-[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]-(2-phosphonoethyl)amino]ethanoic acid |
|
![1IA 1IA](https://data.pdbj.org/pdbjplus/data/cc/svg/1IA.svg) | 1IA | Name: | (2~{R})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid | Formula: | C10 H15 N6 O5 P | SMILES: | Nc1ncnc2n(CCN[CH](C[P](O)(O)=O)C(O)=O)cnc12 | InChi: | InChI=1S/C10H15N6O5P/c11-8-7-9(14-4-13-8)16(5-15-7)2-1-12-6(10(17)18)3-22(19,20)21/h4-6,12H,1-3H2,(H,17,18)(H2,11,13,14)(H2,19,20,21)/t6-/m0/s1 | Definition date: | 2021-06-10 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (2~{R})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid |
|
![1IH 1IH](https://data.pdbj.org/pdbjplus/data/cc/svg/1IH.svg) | 1IH | Name: | (S)-2-((2-(6-amino-9H-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid | Formula: | C10 H15 N6 O5 P | SMILES: | Nc1ncnc2n(CCN[CH](C[P](O)(O)=O)C(O)=O)cnc12 | InChi: | InChI=1S/C10H15N6O5P/c11-8-7-9(14-4-13-8)16(5-15-7)2-1-12-6(10(17)18)3-22(19,20)21/h4-6,12H,1-3H2,(H,17,18)(H2,11,13,14)(H2,19,20,21)/t6-/m1/s1 | Definition date: | 2021-06-10 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (2~{S})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid |
|
![1IK 1IK](https://data.pdbj.org/pdbjplus/data/cc/svg/1IK.svg) | 1IK | Name: | (S)-2-((3-(6-amino-9H-purin-9-yl)propyl)amino)-3-phosphonopropanoic acid | Formula: | C11 H17 N6 O5 P | SMILES: | Nc1ncnc2n(CCCN[CH](C[P](O)(O)=O)C(O)=O)cnc12 | InChi: | InChI=1S/C11H17N6O5P/c12-9-8-10(15-5-14-9)17(6-16-8)3-1-2-13-7(11(18)19)4-23(20,21)22/h5-7,13H,1-4H2,(H,18,19)(H2,12,14,15)(H2,20,21,22)/t7-/m1/s1 | Definition date: | 2021-06-11 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (2~{S})-2-[3-(6-aminopurin-9-yl)propylamino]-3-phosphono-propanoic acid |
|
![1IO 1IO](https://data.pdbj.org/pdbjplus/data/cc/svg/1IO.svg) | 1IO | Name: | (S)-2-(2-(6-amino-9H-purin-9-yl)ethoxy)-3-phosphonopropanoic acid | Formula: | C10 H14 N5 O6 P | SMILES: | Nc1ncnc2n(CCO[CH](C[P](O)(O)=O)C(O)=O)cnc12 | InChi: | InChI=1S/C10H14N5O6P/c11-8-7-9(13-4-12-8)15(5-14-7)1-2-21-6(10(16)17)3-22(18,19)20/h4-6H,1-3H2,(H,16,17)(H2,11,12,13)(H2,18,19,20)/t6-/m1/s1 | Definition date: | 2021-06-11 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (2~{S})-2-[2-(6-aminopurin-9-yl)ethoxy]-3-phosphono-propanoic acid |
|
![1KK 1KK](https://data.pdbj.org/pdbjplus/data/cc/svg/1KK.svg) | 1KK | Name: | (S)-2-(3-(6-amino-9H-purin-9-yl)propoxy)-3-phosphonopropanoic acid | Formula: | C11 H16 N5 O6 P | SMILES: | Nc1ncnc2n(CCCO[CH](C[P](O)(O)=O)C(O)=O)cnc12 | InChi: | InChI=1S/C11H16N5O6P/c12-9-8-10(14-5-13-9)16(6-15-8)2-1-3-22-7(11(17)18)4-23(19,20)21/h5-7H,1-4H2,(H,17,18)(H2,12,13,14)(H2,19,20,21)/t7-/m1/s1 | Definition date: | 2021-06-14 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (2~{S})-2-[3-(6-aminopurin-9-yl)propoxy]-3-phosphono-propanoic acid |
|
![GYO GYO](https://data.pdbj.org/pdbjplus/data/cc/svg/GYO.svg) | GYO | Name: | ~{N}-[(1~{S},2~{S})-2-(2-methoxyphenyl)cyclopropyl]-3~{H}-benzimidazole-5-carboxamide | Formula: | C18 H17 N3 O2 | SMILES: | COc1ccccc1[CH]2C[CH]2NC(=O)c3ccc4nc[nH]c4c3 | InChi: | InChI=1S/C18H17N3O2/c1-23-17-5-3-2-4-12(17)13-9-15(13)21-18(22)11-6-7-14-16(8-11)20-10-19-14/h2-8,10,13,15H,9H2,1H3,(H,19,20)(H,21,22)/t13-,15-/m0/s1 | Definition date: | 2020-10-09 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | ~{N}-[(1~{S},2~{S})-2-(2-methoxyphenyl)cyclopropyl]-3~{H}-benzimidazole-5-carboxamide |
|
![H9F H9F](https://data.pdbj.org/pdbjplus/data/cc/svg/H9F.svg) | H9F | Name: | 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol | Formula: | C24 H40 N8 O4 | SMILES: | OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO | InChi: | InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2 | Definition date: | 2020-12-04 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol |
|
![2NU 2NU](https://data.pdbj.org/pdbjplus/data/cc/svg/2NU.svg) | 2NU | Name: | 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide | Formula: | C9 H12 Br N3 O | SMILES: | CN(C1CC1)C(=O)Cn2cc(Br)cn2 | InChi: | InChI=1S/C9H12BrN3O/c1-12(8-2-3-8)9(14)6-13-5-7(10)4-11-13/h4-5,8H,2-3,6H2,1H3 | Definition date: | 2021-06-23 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide |
|
![3E6 3E6](https://data.pdbj.org/pdbjplus/data/cc/svg/3E6.svg) | 3E6 | Name: | Rebaudioside A2 | Formula: | C44 H70 O23 | SMILES: | C[C]12CCC[C](C)([CH]1CC[C]34CC(=C)[C](CC[CH]23)(C4)O[CH]5O[CH](CO[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH](O)[CH](O)[CH]5O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)C(=O)O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O | InChi: | InChI=1S/C44H70O23/c1-17-11-43-9-5-22-41(2,7-4-8-42(22,3)40(59)66-38-34(58)30(54)26(50)20(14-47)63-38)23(43)6-10-44(17,16-43)67-39-35(65-37-33(57)29(53)25(49)19(13-46)62-37)31(55)27(51)21(64-39)15-60-36-32(56)28(52)24(48)18(12-45)61-36/h18-39,45-58H,1,4-16H2,2-3H3/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-,28+,29+,30+,31+,32-,33-,34-,35-,36-,37+,38+,39+,41-,42-,43-,44+/m1/s1 | Definition date: | 2021-07-13 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 |
|
![3IR 3IR](https://data.pdbj.org/pdbjplus/data/cc/svg/3IR.svg) | 3IR | Name: | (1~{R},2~{R})-2-phenyl-~{N}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide | Formula: | C13 H12 N2 O S | SMILES: | O=C(Nc1sccn1)[CH]2C[CH]2c3ccccc3 | InChi: | InChI=1S/C13H12N2OS/c16-12(15-13-14-6-7-17-13)11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,14,15,16)/t10-,11+/m0/s1 | Synonyms: | ((1R,2R)-2-Phenyl-N-(1,3-thiazol-2-yl) cyclopropanecarboxamide | Definition date: | 2021-06-25 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (1~{R},2~{R})-2-phenyl-~{N}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide |
|
![JC6 JC6](https://data.pdbj.org/pdbjplus/data/cc/svg/JC6.svg) | JC6 | Name: | Steviolbioside | Formula: | C32 H50 O13 | SMILES: | C[C]12CCC[C](C)([CH]1CC[C]34CC(=C)[C](CC[CH]23)(C4)O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)C(O)=O | InChi: | InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1 | Definition date: | 2021-05-17 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 |
|
![JDF JDF](https://data.pdbj.org/pdbjplus/data/cc/svg/JDF.svg) | JDF | Name: | steviol-19-o-glucoside | Formula: | C26 H40 O8 | SMILES: | C[C]12CCC[C](C)([CH]1CC[C]34CC(=C)[C](O)(CC[CH]23)C4)C(=O)O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O | InChi: | InChI=1S/C26H40O8/c1-14-11-25-9-5-16-23(2,17(25)6-10-26(14,32)13-25)7-4-8-24(16,3)22(31)34-21-20(30)19(29)18(28)15(12-27)33-21/h15-21,27-30,32H,1,4-13H2,2-3H3/t15-,16+,17+,18-,19+,20-,21+,23-,24-,25-,26+/m1/s1 | Definition date: | 2021-05-21 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 |
|
![JDO JDO](https://data.pdbj.org/pdbjplus/data/cc/svg/JDO.svg) | JDO | Name: | rebaudioside D | Formula: | C50 H80 O28 | SMILES: | C[C]12CCC[C](C)([CH]1CC[C]34CC(=C)[C](CC[CH]23)(C4)O[CH]5O[CH](CO)[CH](O)[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH]5O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)C(=O)O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O[CH]9O[CH](CO)[CH](O)[CH](O)[CH]9O | InChi: | InChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-39(34(64)29(59)22(15-54)72-44)75-42-36(66)32(62)27(57)20(13-52)70-42)25(49)6-10-50(18,17-49)78-45-40(76-43-37(67)33(63)28(58)21(14-53)71-43)38(30(60)23(16-55)73-45)74-41-35(65)31(61)26(56)19(12-51)69-41/h19-45,51-67H,1,4-17H2,2-3H3/t19-,20-,21-,22-,23-,24+,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40-,41+,42+,43+,44+,45+,47-,48-,49-,50+/m1/s1 | Definition date: | 2021-05-21 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 |
|
![4OI 4OI](https://data.pdbj.org/pdbjplus/data/cc/svg/4OI.svg) | 4OI | Name: | (1~{R},2~{R})-~{N}-(1~{H}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide | Formula: | C12 H12 N4 O | SMILES: | O=C(Nc1c[nH]nc1)[CH]2C[CH]2c3cccnc3 | InChi: | InChI=1S/C12H12N4O/c17-12(16-9-6-14-15-7-9)11-4-10(11)8-2-1-3-13-5-8/h1-3,5-7,10-11H,4H2,(H,14,15)(H,16,17)/t10-,11+/m0/s1 | Definition date: | 2021-07-06 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (1~{R},2~{R})-~{N}-(1~{H}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide |
|
![51A 51A](https://data.pdbj.org/pdbjplus/data/cc/svg/51A.svg) | 51A | Name: | N-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide | Formula: | C21 H17 F N6 O2 | SMILES: | Fc1ccc2OCCc2c1CNc3ncc(NC(=O)c4ccccc4)c5nncn35 | InChi: | InChI=1S/C21H17FN6O2/c22-16-6-7-18-14(8-9-30-18)15(16)10-23-21-24-11-17(19-27-25-12-28(19)21)26-20(29)13-4-2-1-3-5-13/h1-7,11-12H,8-10H2,(H,23,24)(H,26,29) | Definition date: | 2021-07-07 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | ~{N}-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide |
|
![52R 52R](https://data.pdbj.org/pdbjplus/data/cc/svg/52R.svg) | 52R | Name: | N5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-N8-methyl-N8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine | Formula: | C19 H19 F N8 O | SMILES: | Cn1ccc(n1)N(C)c2cnc(NCc3c(F)ccc4OCCc34)n5cnnc25 | InChi: | InChI=1S/C19H19FN8O/c1-26-7-5-17(25-26)27(2)15-10-22-19(28-11-23-24-18(15)28)21-9-13-12-6-8-29-16(12)4-3-14(13)20/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,21,22) | Definition date: | 2021-07-07 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | ~{N}5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-~{N}8-methyl-~{N}8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine |
|
![54N 54N](https://data.pdbj.org/pdbjplus/data/cc/svg/54N.svg) | 54N | Name: | 8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-pyrido[3,4-d]pyridazin-1-one | Formula: | C25 H25 F N6 O2 | SMILES: | CN(C)Cc1ccc(c(C)n1)c2cnc(NCc3c(F)ccc4OCCc34)c5C=NNC(=O)c25 | InChi: | InChI=1S/C25H25FN6O2/c1-14-16(5-4-15(30-14)13-32(2)3)19-11-28-24(20-12-29-31-25(33)23(19)20)27-10-18-17-8-9-34-22(17)7-6-21(18)26/h4-7,11-12H,8-10,13H2,1-3H3,(H,27,28)(H,31,33) | Definition date: | 2021-07-07 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2~{H}-pyrido[3,4-d]pyridazin-1-one |
|
![VUS VUS](https://data.pdbj.org/pdbjplus/data/cc/svg/VUS.svg) | VUS | Name: | 3-[(3~{a}~{S},4~{S},6~{a}~{R})-4-carboxy-2,3,4,5,6,6~{a}-hexahydro-1~{H}-pyrrolo[2,3-c]pyrrol-3~{a}-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide | Formula: | C10 H20 B N2 O5 | SMILES: | O=C(O)C1NCC2NCCC12CCC[B-](O)(O)O | InChi: | InChI=1S/C10H20BN2O5/c14-9(15)8-10(2-1-4-11(16,17)18)3-5-12-7(10)6-13-8/h7-8,12-13,16-18H,1-6H2,(H,14,15)/q-1/t7-,8+,10-/m0/s1 | Definition date: | 2020-09-16 | Last modified: | 2021-12-01 | Release date: | 2021-12-01 | Identifier: | {3-[(3aS,4S,6aR)-4-carboxyhexahydropyrrolo[3,4-b]pyrrol-3a(1H)-yl]propyl}(trihydroxido)borate(1-) |
|
![VUV VUV](https://data.pdbj.org/pdbjplus/data/cc/svg/VUV.svg) | VUV | Name: | 3-[(2~{S},3~{R})-2-carboxypyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide | Formula: | C8 H17 B N O5 | SMILES: | O=C(O)C1NCCC1CCC[B-](O)(O)O | InChi: | InChI=1S/C8H17BNO5/c11-8(12)7-6(3-5-10-7)2-1-4-9(13,14)15/h6-7,10,13-15H,1-5H2,(H,11,12)/q-1/t6-,7+/m1/s1 | Definition date: | 2020-09-16 | Last modified: | 2021-12-01 | Release date: | 2021-12-01 | Identifier: | {3-[(2S,3R)-2-carboxypyrrolidin-3-yl]propyl}(trihydroxido)borate(1-) |
|
![VUY VUY](https://data.pdbj.org/pdbjplus/data/cc/svg/VUY.svg) | VUY | Name: | 3-[(1~{S},2~{S},5~{R})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide | Formula: | C9 H17 B N O5 S | SMILES: | O=C(O)C1NCC2SCC12CCC[B-](O)(O)O | InChi: | InChI=1S/C9H17BNO5S/c12-8(13)7-9(2-1-3-10(14,15)16)5-17-6(9)4-11-7/h6-7,11,14-16H,1-5H2,(H,12,13)/q-1/t6-,7+,9-/m0/s1 | Definition date: | 2020-09-16 | Last modified: | 2021-12-01 | Release date: | 2021-10-06 | Identifier: | {3-[(1S,2S,5R)-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl}(trihydroxido)borate(1-) |
|
![VV1 VV1](https://data.pdbj.org/pdbjplus/data/cc/svg/VV1.svg) | VV1 | Name: | 3-[(1~{S},2~{S},5~{R})-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide | Formula: | C9 H18 B N2 O5 | SMILES: | O=C(O)C1NCC2NCC12CCC[B-](O)(O)O | InChi: | InChI=1S/C9H18BN2O5/c13-8(14)7-9(2-1-3-10(15,16)17)5-12-6(9)4-11-7/h6-7,11-12,15-17H,1-5H2,(H,13,14)/q-1/t6-,7+,9-/m0/s1 | Definition date: | 2020-09-16 | Last modified: | 2021-12-01 | Release date: | 2021-12-01 | Identifier: | {3-[(1S,2S,5R)-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl}(trihydroxido)borate(1-) |
|
![VV4 VV4](https://data.pdbj.org/pdbjplus/data/cc/svg/VV4.svg) | VV4 | Name: | 3-[(1~{R},5~{S},8~{R})-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide | Formula: | C10 H20 B N2 O5 | SMILES: | O[B-](O)(O)CCCC1C2NCCC1(NC2)C(=O)O | InChi: | InChI=1S/C10H20BN2O5/c14-9(15)10-3-5-12-8(6-13-10)7(10)2-1-4-11(16,17)18/h7-8,12-13,16-18H,1-6H2,(H,14,15)/q-1/t7-,8+,10+/m1/s1 | Definition date: | 2020-09-16 | Last modified: | 2021-12-01 | Release date: | 2021-12-01 | Identifier: | {3-[(1R,5S,8R)-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl}(trihydroxido)borate(1-) |
|
![VKZ VKZ](https://data.pdbj.org/pdbjplus/data/cc/svg/VKZ.svg) | VKZ | Name: | 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide | Formula: | C24 H30 Cl Ir N4 O3 S | SMILES: | CC1C(C)C(C)C(C)C1C.Nc2cc[n+]3[Ir](Cl)N(CCc4ccc(cc4)[S](N)(=O)=O)C(=O)c3c2 | InChi: | InChI=1S/C14H16N4O3S.C10H15.ClH.Ir/c15-11-6-8-17-13(9-11)14(19)18-7-5-10-1-3-12(4-2-10)22(16,20)21 | Definition date: | 2021-05-26 | Last modified: | 2021-11-26 | Release date: | 2021-12-01 | Identifier: | 4-[2-(4'-azanyl-1-chloranyl-2,3,4,5,6-pentamethyl-7'-oxidanylidene-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,9'-8-aza-1-azonia-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene]-8'-yl)ethyl]benzenesulfonamide |
|