 | | 3I5 | | Name: | (3~{S},8~{a}~{S})-3-[(5-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | | Formula: | C16 H16 F N3 O2 | | SMILES: | Fc1ccc2[nH]cc(C[CH]3NC(=O)[CH]4CCCN4C3=O)c2c1 | | InChi: | InChI=1S/C16H16FN3O2/c17-10-3-4-12-11(7-10)9(8-18-12)6-13-16(22)20-5-1-2-14(20)15(21)19-13/h3-4,7-8,13-14,18H,1-2,5-6H2,(H,19,21)/t13-,14-/m0/s1 | | Definition date: | 2022-12-19 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | (3~{S},8~{a}~{S})-3-[(5-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
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 | | O9C | | Name: | 8-morpholin-4-yl-2-pyridin-3-yl-[1,3]oxazolo[5,4-f]quinoxaline | | Formula: | C18 H15 N5 O2 | | SMILES: | C1CN(CCO1)c2cnc3ccc4nc(oc4c3n2)c5cccnc5 | | InChi: | InChI=1S/C18H15N5O2/c1-2-12(10-19-5-1)18-21-14-4-3-13-16(17(14)25-18)22-15(11-20-13)23-6-8-24-9-7-23/h1-5,10-11H,6-9H2 | | Definition date: | 2022-08-31 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | 8-morpholin-4-yl-2-pyridin-3-yl-[1,3]oxazolo[5,4-f]quinoxaline |
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 | | O9L | | Name: | 2-pyridin-3-yl-8-thiomorpholin-4-yl-[1,3]oxazolo[5,4-f]quinoxaline | | Formula: | C18 H15 N5 O S | | SMILES: | C1CN(CCS1)c2cnc3ccc4nc(oc4c3n2)c5cccnc5 | | InChi: | InChI=1S/C18H15N5OS/c1-2-12(10-19-5-1)18-21-14-4-3-13-16(17(14)24-18)22-15(11-20-13)23-6-8-25-9-7-23/h1-5,10-11H,6-9H2 | | Definition date: | 2022-08-31 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | 2-pyridin-3-yl-8-thiomorpholin-4-yl-[1,3]oxazolo[5,4-f]quinoxaline |
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 | | OE9 | | Name: | [methyl 9-ethenyl-14-ethyl-3-(3-methoxy-3-oxopropyl)-4,8,13,18-tetramethyl-20-oxophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]zinc | | Formula: | C36 H36 N4 O5 Zn | | SMILES: | O=C(OC)CCC1C(C)C2=Cc3c(C)c(C=C)c4C=C5C(C)=C(CC)C=6C=C7C(C)=C8C(=O)C(C9=C8N7[Zn](N2=C91)(n34)N5=6)C(=O)OC | | InChi: | InChI=1S/C36H37N4O5.Zn/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | [methyl 9-ethenyl-14-ethyl-3-(3-methoxy-3-oxopropyl)-4,8,13,18-tetramethyl-20-oxophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]zinc |
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 | | OI9 | | Name: | Streptothricin F | | Formula: | C19 H34 N8 O8 | | SMILES: | NCCCC(N)CC(=O)NC1C(O)C(OC(N)=O)C(CO)OC1NC=1NC2C(N=1)C(=O)NCC2O | | InChi: | InChI=1S/C19H34N8O8/c20-3-1-2-7(21)4-10(30)24-13-14(31)15(35-18(22)33)9(6-28)34-17(13)27-19-25-11-8(29)5-23-16(32)12(11)26-19/h7-9,11-15,17,28-29,31H,1-6,20-21H2,(H2,22,33)(H,23,32)(H,24,30)(H2,25,26,27)/t7-,8+,9+,11+,12-,13+,14-,15-,17+/m0/s1 | | Definition date: | 2022-05-03 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | 4-O-carbamoyl-2-deoxy-2-[(3S)-3,6-diaminohexanamido]-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-beta-D-gulopyranosylamine |
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 | | OIY | | Name: | Streptothricin D | | Formula: | C31 H58 N12 O10 | | SMILES: | NCCCC(N)CC(=O)NCCCC(N)CC(=O)NCCCC(N)CC(=O)NC1C(O)C(OC(N)=O)C(CO)OC1NC=1NC2C(N=1)C(=O)NCC2O | | InChi: | InChI=1S/C31H58N12O10/c32-7-1-4-15(33)10-20(46)37-8-2-5-16(34)11-21(47)38-9-3-6-17(35)12-22(48)40-25-26(49)27(53-30(36)51)19(14-44)52-29(25)43-31-41-23-18(45)13-39-28(50)24(23)42-31/h15-19,23-27,29,44-45,49H,1-14,32-35H2,(H2,36,51)(H,37,46)(H,38,47)(H,39,50)(H,40,48)(H2,41,42,43)/t15-,16-,17-,18+,19+,23+,24-,25+,26-,27-,29+/m0/s1 | | Definition date: | 2022-05-03 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | 2-[(3S)-3-amino-6-{(3S)-3-amino-6-[(3S)-3,6-diaminohexanamido]hexanamido}hexanamido]-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-beta-D-gulopyranosylamine |
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 | | OLR | | Name: | 6-[(1~{S})-1-[1-[5-(2-hydroxyethyloxy)pyridin-2-yl]pyrazol-3-yl]ethyl]-3~{H}-1,3-benzothiazol-2-one | | Formula: | C19 H18 N4 O3 S | | SMILES: | C[CH](c1ccc2NC(=O)Sc2c1)c3ccn(n3)c4ccc(OCCO)cn4 | | InChi: | InChI=1S/C19H18N4O3S/c1-12(13-2-4-16-17(10-13)27-19(25)21-16)15-6-7-23(22-15)18-5-3-14(11-20-18)26-9-8-24/h2-7,10-12,24H,8-9H2,1H3,(H,21,25)/t12-/m0/s1 | | Definition date: | 2022-09-14 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | 6-[(1~{S})-1-[1-[5-(2-hydroxyethyloxy)pyridin-2-yl]pyrazol-3-yl]ethyl]-3~{H}-1,3-benzothiazol-2-one |
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 | | 3ZI | | Name: | (3~{S},8~{a}~{S})-3-[(7-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | | Formula: | C16 H16 F N3 O2 | | SMILES: | Fc1cccc2c(C[CH]3NC(=O)[CH]4CCCN4C3=O)c[nH]c12 | | InChi: | InChI=1S/C16H16FN3O2/c17-11-4-1-3-10-9(8-18-14(10)11)7-12-16(22)20-6-2-5-13(20)15(21)19-12/h1,3-4,8,12-13,18H,2,5-7H2,(H,19,21)/t12-,13-/m0/s1 | | Definition date: | 2022-12-19 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | (3~{S},8~{a}~{S})-3-[(7-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
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 | | DYO | | Name: | 3-[4-(aminomethyl)phenyl]-6-[[1-[[2-chloranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-oxidanyl-piperidin-4-yl]methyl]-2-methyl-pyrazolo[4,3-d]pyrimidin-7-one | | Formula: | C28 H29 Cl N8 O3 | | SMILES: | Cn1nc2C(=O)N(CC3(O)CCN(CC3)Cc4ccc(cc4Cl)c5nocn5)C=Nc2c1c6ccc(CN)cc6 | | InChi: | InChI=1S/C28H29ClN8O3/c1-35-25(19-4-2-18(13-30)3-5-19)23-24(33-35)27(38)37(16-31-23)15-28(39)8-10-36(11-9-28)14-21-7-6-20(12-22(21)29)26-32-17-40-34-26/h2-7,12,16-17,39H,8-11,13-15,30H2,1H3 | | Definition date: | 2022-04-16 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | 3-[4-(aminomethyl)phenyl]-6-[[1-[[2-chloranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-oxidanyl-piperidin-4-yl]methyl]-2-methyl-pyrazolo[4,3-d]pyrimidin-7-one |
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 | | VM6 | | Name: | 3-[(2E)-2-{(3Z,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]pent-3-en-1-ylidene}-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl]propyl dihydrogen phosphite | | Formula: | C31 H41 N2 O5 P | | SMILES: | CC1(C)c2ccccc2N(CCCO)C1=CC=C/CC=C1N(CCCOP(=O)(O)O)c2ccccc2C1(C)C | | InChi: | InChI=1S/C31H41N2O5P/c1-30(2)24-14-8-10-16-26(24)32(20-12-22-34)28(30)18-6-5-7-19-29-31(3,4)25-15-9-11-17-27(25)33(29)21-13-23-38-39(35,36)37/h5-6,8-11,14-19,34H,7,12-13,20-23H2,1-4H3,(H2,35,36,37)/b6-5-,28-18+,29-19+ | | Definition date: | 2022-09-01 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | 3-[(2E)-2-{(3Z,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]pent-3-en-1-ylidene}-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl]propyl dihydrogen phosphate |
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 | | S0R | | Name: | (2S)-2-benzamido-4-methyl-pentanoic acid | | Formula: | C13 H17 N O3 | | SMILES: | CC(C)C[CH](NC(=O)c1ccccc1)C(O)=O | | InChi: | InChI=1S/C13H17NO3/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17)/t11-/m0/s1 | | Definition date: | 2023-04-07 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | (2~{S})-2-benzamido-4-methyl-pentanoic acid |
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 | | WIB | | Name: | 4-[bromo(dichloro)methanesulfonyl]-N-cyclohexyl-2-nitroaniline | | Formula: | C13 H15 Br Cl2 N2 O4 S | | SMILES: | BrC(Cl)(Cl)S(=O)(=O)c1ccc(NC2CCCCC2)c(c1)[N+]([O-])=O | | InChi: | InChI=1S/C13H15BrCl2N2O4S/c14-13(15,16)23(21,22)10-6-7-11(12(8-10)18(19)20)17-9-4-2-1-3-5-9/h6-9,17H,1-5H2 | | Definition date: | 2022-09-12 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | 4-[bromo(dichloro)methanesulfonyl]-N-cyclohexyl-2-nitroaniline |
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 | | IQR | | Name: | 4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol | | Formula: | C17 H16 N4 O | | SMILES: | CC(C)(O)C#Cc1ccc2[nH]cc(c3ccnc(N)n3)c2c1 | | InChi: | InChI=1S/C17H16N4O/c1-17(2,22)7-5-11-3-4-14-12(9-11)13(10-20-14)15-6-8-19-16(18)21-15/h3-4,6,8-10,20,22H,1-2H3,(H2,18,19,21) | | Definition date: | 2022-04-07 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | 4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol |
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 | | IQY | | Name: | 1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-ethyl-pent-1-yn-3-ol | | Formula: | C22 H24 N4 O | | SMILES: | CCC(O)(CC)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4c3c2c1 | | InChi: | InChI=1S/C22H24N4O/c1-3-22(27,4-2)11-10-14-8-9-17-16(12-14)19-18(25-17)7-5-6-15-13-24-21(23)26-20(15)19/h8-9,12-13,25,27H,3-7H2,1-2H3,(H2,23,24,26) | | Definition date: | 2022-04-07 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | 1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-ethyl-pent-1-yn-3-ol |
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 | | IRD | | Name: | (3~{S})-1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-methyl-pent-1-yn-3-ol | | Formula: | C21 H22 N4 O | | SMILES: | CC[C](C)(O)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4c3c2c1 | | InChi: | InChI=1S/C21H22N4O/c1-3-21(2,26)10-9-13-7-8-16-15(11-13)18-17(24-16)6-4-5-14-12-23-20(22)25-19(14)18/h7-8,11-12,24,26H,3-6H2,1-2H3,(H2,22,23,25)/t21-/m0/s1 | | Definition date: | 2022-04-07 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | (3~{S})-1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-methyl-pent-1-yn-3-ol |
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 | | IU0 | | Name: | (1~{R},9~{R},10~{S})-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol | | Formula: | C11 H13 N O2 | | SMILES: | O[CH]1CO[CH]2C[CH]1Nc3ccccc23 | | InChi: | InChI=1S/C11H13NO2/c13-10-6-14-11-5-9(10)12-8-4-2-1-3-7(8)11/h1-4,9-13H,5-6H2/t9-,10-,11-/m1/s1 | | Definition date: | 2022-04-12 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | (1~{R},9~{R},10~{S})-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol |
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 | | IU9 | | Name: | N-(2-chloranyl-4-fluoranyl-phenyl)-2-selanyl-benzamide | | Formula: | C13 H9 Cl F N O Se | | SMILES: | Fc1ccc(NC(=O)c2ccccc2[SeH])c(Cl)c1 | | InChi: | InChI=1S/C13H9ClFNOSe/c14-10-7-8(15)5-6-11(10)16-13(17)9-3-1-2-4-12(9)18/h1-7,18H,(H,16,17) | | Definition date: | 2022-04-13 | | Last modified: | 2023-04-14 | | Release date: | 2023-04-19 | | Identifier: | ~{N}-(2-chloranyl-4-fluoranyl-phenyl)-2-selanyl-benzamide |
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 | | C9F | | Name: | Diltiazem | | Formula: | C22 H26 N2 O4 S | | SMILES: | COc1ccc(cc1)[CH]2Sc3ccccc3N(CCN(C)C)C(=O)[CH]2OC(C)=O | | InChi: | InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1 | | Definition date: | 2019-04-18 | | Last modified: | 2023-04-10 | | Release date: | 2019-06-12 | | Identifier: | [(2~{S},3~{S})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate |
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 | | XHO | | Name: | (R)-ranolazine | | Formula: | C24 H33 N3 O4 | | SMILES: | OC(CN1CCN(CC1)CC(=O)Nc1c(C)cccc1C)COc1ccccc1OC | | InChi: | InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)/t20-/m1/s1 | | Synonyms: | N-(2,6-dimethylphenyl)-2-{4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide | | Definition date: | 2022-11-18 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | N-(2,6-dimethylphenyl)-2-{4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide |
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 | | ZMH | | Name: | (6S,8R)-N-(3-bromo-4-fluorophenyl)-8-fluoro-10-methyl-11-oxo-1,3,4,7,8,9,10,11-octahydro-2H-pyrido[4',3':3,4]pyrazolo[1,5-a][1,4]diazepine-2-carboxamide | | Formula: | C18 H18 Br F2 N5 O2 | | SMILES: | Fc1ccc(cc1Br)NC(=O)N1Cc2c3C(=O)N(C)CC(F)Cn3nc2CC1 | | InChi: | InChI=1S/C18H18BrF2N5O2/c1-24-7-10(20)8-26-16(17(24)27)12-9-25(5-4-15(12)23-26)18(28)22-11-2-3-14(21)13(19)6-11/h2-3,6,10H,4-5,7-9H2,1H3,(H,22,28)/t10-/m1/s1 | | Definition date: | 2023-03-15 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | (6S,8R)-N-(3-bromo-4-fluorophenyl)-8-fluoro-10-methyl-11-oxo-1,3,4,7,8,9,10,11-octahydro-2H-pyrido[4',3':3,4]pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
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 | | Y0T | | Name: | N-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-3,4-dihydroxybenzene-1-sulfonamide | | Formula: | C20 H19 N O8 S2 | | SMILES: | Oc1ccc(cc1O)S(=O)(=O)NCCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1 | | InChi: | InChI=1S/C20H19NO8S2/c22-17-7-5-15(11-19(17)24)30(26,27)14-3-1-13(2-4-14)9-10-21-31(28,29)16-6-8-18(23)20(25)12-16/h1-8,11-12,21-25H,9-10H2 | | Definition date: | 2022-12-20 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | N-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-3,4-dihydroxybenzene-1-sulfonamide |
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 | | Y3Z | | Name: | (10aM)-6-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione | | Formula: | C26 H21 N O10 S2 | | SMILES: | Oc1cc(ccc1O)S(=O)(=O)c1ccc(cc1)CCN1c2cc(O)c(O)cc2c2cc(O)c(O)cc2S1(=O)=O | | InChi: | InChI=1S/C26H21NO10S2/c28-20-6-5-16(9-21(20)29)38(34,35)15-3-1-14(2-4-15)7-8-27-19-12-24(32)22(30)10-17(19)18-11-23(31)25(33)13-26(18)39(27,36)37/h1-6,9-13,28-33H,7-8H2 | | Definition date: | 2023-01-03 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | (10aM)-6-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione |
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 | | ZTS | | Name: | [({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino](oxo)acetic acid | | Formula: | C10 H13 N2 O8 P | | SMILES: | Oc1c(CNC(=O)C(=O)O)c(cnc1C)COP(=O)(O)O | | InChi: | InChI=1S/C10H13N2O8P/c1-5-8(13)7(3-12-9(14)10(15)16)6(2-11-5)4-20-21(17,18)19/h2,13H,3-4H2,1H3,(H,12,14)(H,15,16)(H2,17,18,19) | | Definition date: | 2023-04-03 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | [({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino](oxo)acetic acid |
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 | | XUR | | Name: | (2S,4S)-5-carbamimidamido-4-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pentanoic acid (non-preferred name) | | Formula: | C14 H22 N5 O8 P | | SMILES: | Oc1c(/C=N/C(CC(O)CNC(=N)N)C(=O)O)c(cnc1C)COP(=O)(O)O | | InChi: | InChI=1S/C14H22N5O8P/c1-7-12(21)10(8(3-17-7)6-27-28(24,25)26)5-18-11(13(22)23)2-9(20)4-19-14(15)16/h3,5,9,11,20-21H,2,4,6H2,1H3,(H,22,23)(H4,15,16,19)(H2,24,25,26)/b18-5+/t9-,11-/m0/s1 | | Definition date: | 2022-12-12 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | (2S,4S)-5-carbamimidamido-4-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pentanoic acid (non-preferred name) |
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 | | ZIV | | Name: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[2-azanyl-9-[(2~{R},3~{R},4~{R},5~{R})-5-[bis(oxidanyl)phosphanyloxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3~{H}-purin-7-yl]ethyl]amino]-2-azanyl-butanoic acid | | Formula: | C26 H39 N12 O12 P | | SMILES: | O=C(O)C(N)CCN(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)CCN1CN(C2OC(COP(O)O)C(O)C2O)C=2NC(N)=NC(=O)C1=2 | | InChi: | InChI=1S/C26H39N12O12P/c27-10(25(44)45)1-2-35(5-11-15(39)17(41)23(49-11)37-8-32-13-19(28)30-7-31-20(13)37)3-4-36-9-38(21-14(36)22(43)34-26(29)33-21)24-18(42)16(40)12(50-24)6-48-51(46)47/h7-8,10-12,15-18,23-24,39-42,46,51H,1-6,9,27H2,(H,44,45)(H2,28,30,31)(H3,29,33,34,43)/q-1/t10-,11+,12+,15+,16-,17+,18+,23+,24+/m0/s1 | | Definition date: | 2023-03-13 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | (2S)-2-amino-4-[(2-{2-amino-9-[(2R,3R,4R,5R)-5-{[(dihydroxyphosphanyl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-6-oxo-3,6,8,9-tetrahydro-7H-purin-7-yl}ethyl){[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}amino]butanoic acid (non-preferred name) |
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