 | | A1AUE | | Name: | 2-(2-chloroethoxy)-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzene-1-sulfonamide | | Formula: | C14 H16 Cl N5 O5 S | | SMILES: | Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1 | | InChi: | InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21) | | Definition date: | 2024-06-05 | | Last modified: | 2024-10-18 | | Release date: | 2024-10-23 | | Identifier: | 2-(2-chloroethoxy)-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzene-1-sulfonamide |
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 | | A1AUH | | Name: | 2-(2-fluoroethoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide | | Formula: | C15 H17 F N4 O5 S | | SMILES: | O=C(Nc1nc(C)cc(OC)n1)NS(=O)(=O)c1ccccc1OCCF | | InChi: | InChI=1S/C15H17FN4O5S/c1-10-9-13(24-2)18-14(17-10)19-15(21)20-26(22,23)12-6-4-3-5-11(12)25-8-7-16/h3-6,9H,7-8H2,1-2H3,(H2,17,18,19,20,21) | | Definition date: | 2024-06-05 | | Last modified: | 2024-10-18 | | Release date: | 2024-10-23 | | Identifier: | 2-(2-fluoroethoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide |
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 | | A1BCT | | Name: | 1-{(3S)-3-[3-(4-amino-1,3,5-triazin-2-yl)-5-chlorophenyl]morpholin-4-yl}propan-1-one | | Formula: | C16 H18 Cl N5 O2 | | SMILES: | O=C(CC)N1CCOCC1c1cc(cc(Cl)c1)c1ncnc(N)n1 | | InChi: | InChI=1S/C16H18ClN5O2/c1-2-14(23)22-3-4-24-8-13(22)10-5-11(7-12(17)6-10)15-19-9-20-16(18)21-15/h5-7,9,13H,2-4,8H2,1H3,(H2,18,19,20,21) | | Definition date: | 2024-10-04 | | Last modified: | 2024-10-18 | | Release date: | 2024-10-23 | | Identifier: | 1-{(3S)-3-[3-(4-amino-1,3,5-triazin-2-yl)-5-chlorophenyl]morpholin-4-yl}propan-1-one |
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 | | U8S | | Name: | 3-[(2S)-2-hydroxy-2,3-dihydro-1H-imidazol-4-yl]-L-alanine | | Formula: | C6 H11 N3 O3 | | SMILES: | NC(CC1=CNC(O)N1)C(=O)O | | InChi: | InChI=1S/C6H11N3O3/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4,6,8-9,12H,1,7H2,(H,10,11)/t4-,6-/m0/s1 | | Definition date: | 2022-08-10 | | Last modified: | 2024-10-15 | | Release date: | 2023-10-18 | | Identifier: | 3-[(2S)-2-hydroxy-2,3-dihydro-1H-imidazol-4-yl]-L-alanine |
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 | | WHK | | Name: | 1-[1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinin-7-yl]-3-(phenylmethyl)thiourea | | Formula: | C16 H18 B N2 O3 S | | SMILES: | O[B]1(O)OCCc2ccc(NC(=S)NCc3ccccc3)cc12 | | InChi: | InChI=1S/C16H18BN2O3S/c20-17(21)15-10-14(7-6-13(15)8-9-22-17)19-16(23)18-11-12-4-2-1-3-5-12/h1-7,10,20-21H,8-9,11H2,(H2,18,19,23) | | Definition date: | 2023-10-04 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | 1-[1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinin-7-yl]-3-(phenylmethyl)thiourea |
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 | | WJE | | Name: | (4~{Z})-7,9-bis(bromanyl)-8-oxidanyl-4-(phenylazanylmethylidene)-1,2-dihydrodibenzofuran-3-one | | Formula: | C19 H13 Br2 N O3 | | SMILES: | Oc1c(Br)cc2oc3c(CCC(=O)C3=CNc4ccccc4)c2c1Br | | InChi: | InChI=1S/C19H13Br2NO3/c20-13-8-15-16(17(21)18(13)24)11-6-7-14(23)12(19(11)25-15)9-22-10-4-2-1-3-5-10/h1-5,8-9,22,24H,6-7H2 | | Definition date: | 2023-10-05 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | (4~{Z})-7,9-bis(bromanyl)-8-oxidanyl-4-(phenylazanylmethylidene)-1,2-dihydrodibenzofuran-3-one |
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 | | WKK | | Name: | 1-benzothiophen-3-ylboronic acid | | Formula: | C8 H7 B O2 S | | SMILES: | OB(O)c1csc2ccccc21 | | InChi: | InChI=1S/C8H7BO2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,10-11H | | Definition date: | 2023-10-06 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | 1-benzothiophen-3-ylboronic acid |
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 | | KDU | | Name: | (1P)-1-(2,3-dichlorophenyl)-N-({2-[(pyridin-2-yl)oxy]phenyl}methyl)-1H-tetrazol-5-amine | | Formula: | C19 H14 Cl2 N6 O | | SMILES: | Clc1cccc(c1Cl)n1nnnc1NCc1ccccc1Oc1ccccn1 | | InChi: | InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26) | | Definition date: | 2023-08-10 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | (1P)-1-(2,3-dichlorophenyl)-N-({2-[(pyridin-2-yl)oxy]phenyl}methyl)-1H-tetrazol-5-amine |
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 | | KE3 | | Name: | 3-{[(5R)-5-(2,3-dichlorophenyl)tetrazolidin-1-yl]methyl}pyridine | | Formula: | C13 H13 Cl2 N5 | | SMILES: | Clc1cccc(c1Cl)C1NNNN1Cc1cccnc1 | | InChi: | InChI=1S/C13H13Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7,13,17-19H,8H2/t13-/m1/s1 | | Definition date: | 2023-08-10 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | 3-{[(5R)-5-(2,3-dichlorophenyl)tetrazolidin-1-yl]methyl}pyridine |
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 | | X1K | | Name: | (3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},8~{a}~{S})-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione | | Formula: | C20 H31 N O4 | | SMILES: | CC1(C)CCC[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)[CH](O)C[CH]12 | | InChi: | InChI=1S/C20H31NO4/c1-11-13(9-15(23)12-8-17(24)21-18(12)25)20(4)7-5-6-19(2,3)16(20)10-14(11)22/h12-16,22-23H,1,5-10H2,2-4H3,(H,21,24,25)/t12-,13+,14+,15+,16+,20-/m1/s1 | | Definition date: | 2023-05-30 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | (3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},8~{a}~{S})-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione |
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 | | KEI | | Name: | N-{[(3s,5s,7s)-adamantan-1-yl]methyl}-2-chloro-5-{3-[(3-hydroxypropyl)amino]propyl}benzamide | | Formula: | C24 H35 Cl N2 O2 | | SMILES: | OCCCNCCCc1cc(c(Cl)cc1)C(=O)NCC12CC3CC(C1)CC(C2)C3 | | InChi: | InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)/t18-,19+,20-,24- | | Definition date: | 2023-08-11 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | N-{[(3s,5s,7s)-adamantan-1-yl]methyl}-2-chloro-5-{3-[(3-hydroxypropyl)amino]propyl}benzamide |
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 | | KF0 | | Name: | N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-1-methyl-5-oxo-L-prolinamide | | Formula: | C14 H14 Cl F3 N2 O2 | | SMILES: | O=C1CCC(C(=O)NCc2cccc(c2Cl)C(F)(F)F)N1C | | InChi: | InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1 | | Definition date: | 2023-08-11 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-1-methyl-5-oxo-L-prolinamide |
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 | | KFM | | Name: | 4,4',4''-[methanetriyltris(4,1-phenyleneazanediyl)]tri(benzene-1-sulfonic acid) | | Formula: | C37 H31 N3 O9 S3 | | SMILES: | OS(=O)(=O)c1ccc(Nc2ccc(cc2)C(c2ccc(Nc3ccc(cc3)S(=O)(=O)O)cc2)c2ccc(Nc3ccc(cc3)S(=O)(=O)O)cc2)cc1 | | InChi: | InChI=1S/C37H31N3O9S3/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49/h1-24,37-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49) | | Definition date: | 2023-08-11 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | 4,4',4''-[methanetriyltris(4,1-phenyleneazanediyl)]tri(benzene-1-sulfonic acid) |
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 | | XI5 | | Name: | [(2~{S})-1-[[1-[(4-ethanoylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid | | Formula: | C19 H29 N2 O6 P | | SMILES: | CC(C)C[CH](C(=O)N[CH](C(C)C)C(=O)Nc1ccc(cc1)C(C)=O)[P](O)(O)=O | | InChi: | InChI=1S/C19H29N2O6P/c1-11(2)10-16(28(25,26)27)18(23)21-17(12(3)4)19(24)20-15-8-6-14(7-9-15)13(5)22/h6-9,11-12,16-17H,10H2,1-5H3,(H,20,24)(H,21,23)(H2,25,26,27)/t16-,17-/m0/s1 | | Definition date: | 2023-11-02 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | [(2~{S})-1-[[1-[(4-ethanoylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid |
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 | | A1H0Q | | Name: | 1-[[1-[(2S,3S,4R,5S,6R)-2-(2-chloroethyloxy)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methyl]guanidine | | Formula: | C12 H21 Cl N6 O5 | | SMILES: | NC(=N)NCc1cn(nn1)[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2OCCCl | | InChi: | InChI=1S/C12H21ClN6O5/c13-1-2-23-11-8(10(22)9(21)7(5-20)24-11)19-4-6(17-18-19)3-16-12(14)15/h4,7-11,20-22H,1-3,5H2,(H4,14,15,16)/t7-,8+,9-,10-,11+/m1/s1 | | Definition date: | 2023-12-16 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | 1-[[1-[(2~{S},3~{S},4~{R},5~{S},6~{R})-2-(2-chloroethyloxy)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methyl]guanidine |
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 | | YC3 | | Name: | 3-[2-(sulfanylmethyl)phenyl]-L-phenylalanine | | Formula: | C16 H17 N O2 S | | SMILES: | SCc1ccccc1c1cccc(CC(N)C(=O)O)c1 | | InChi: | InChI=1S/C16H17NO2S/c17-15(16(18)19)9-11-4-3-6-12(8-11)14-7-2-1-5-13(14)10-20/h1-8,15,20H,9-10,17H2,(H,18,19)/t15-/m0/s1 | | Definition date: | 2023-01-23 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | 3-[2-(sulfanylmethyl)phenyl]-L-phenylalanine |
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 | | X6Z | | Name: | [(2~{R},3~{S},4~{S},5~{S})-5-methoxy-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate | | Formula: | C7 H15 O9 P | | SMILES: | CO[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O | | InChi: | InChI=1S/C7H15O9P/c1-14-6-5(9)4(8)3(16-7(6)10)2-15-17(11,12)13/h3-10H,2H2,1H3,(H2,11,12,13)/t3-,4-,5+,6+,7+/m1/s1 | | Definition date: | 2023-10-24 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | [(2~{R},3~{S},4~{S},5~{S})-5-methoxy-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate |
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 | | VI4 | | Name: | 13-(3-Amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranosyl)-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one | | Formula: | C26 H24 N4 O3 | | SMILES: | C[CH]1O[CH](C[CH](N)[CH]1O)n2c3ccccc3c4c2c5[nH]c6ccccc6c5c7CNC(=O)c47 | | InChi: | InChI=1S/C26H24N4O3/c1-12-25(31)16(27)10-19(33-12)30-18-9-5-3-7-14(18)21-22-15(11-28-26(22)32)20-13-6-2-4-8-17(13)29-23(20)24(21)30/h2-9,12,16,19,25,29,31H,10-11,27H2,1H3,(H,28,32)/t12-,16+,19+,25-/m0/s1 | | Definition date: | 2023-07-22 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 |
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 | | WSV | | Name: | 2-azanyl-~{N}-[[2-[2-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]amino]-1,3-oxazol-5-yl]phenyl]methyl]-~{N}-methyl-ethanamide | | Formula: | C23 H23 N5 O4 | | SMILES: | COc1cc(Nc2oc(cn2)c3ccccc3CN(C)C(=O)CN)ccc1c4ocnc4 | | InChi: | InChI=1S/C23H23N5O4/c1-28(22(29)10-24)13-15-5-3-4-6-17(15)21-12-26-23(32-21)27-16-7-8-18(19(9-16)30-2)20-11-25-14-31-20/h3-9,11-12,14H,10,13,24H2,1-2H3,(H,26,27) | | Definition date: | 2023-10-11 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | 2-azanyl-~{N}-[[2-[2-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]amino]-1,3-oxazol-5-yl]phenyl]methyl]-~{N}-methyl-ethanamide |
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 | | YRD | | Name: | ~{N}-(4-methyl-5-oxidanylidene-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide | | Formula: | C12 H16 N2 O2 S2 | | SMILES: | CCCCCC(=O)NC1=C2SSC=C2N(C)C1=O | | InChi: | InChI=1S/C12H16N2O2S2/c1-3-4-5-6-9(15)13-10-11-8(7-17-18-11)14(2)12(10)16/h7H,3-6H2,1-2H3,(H,13,15) | | Definition date: | 2023-12-12 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | ~{N}-(4-methyl-5-oxidanylidene-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide |
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 | | YRH | | Name: | ~{N}-(5-oxidanylidene-4~{H}-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide | | Formula: | C11 H14 N2 O2 S2 | | SMILES: | CCCCCC(=O)NC1=C2SSC=C2NC1=O | | InChi: | InChI=1S/C11H14N2O2S2/c1-2-3-4-5-8(14)13-9-10-7(6-16-17-10)12-11(9)15/h6H,2-5H2,1H3,(H,12,15)(H,13,14) | | Definition date: | 2023-12-12 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | ~{N}-(5-oxidanylidene-4~{H}-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide |
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 | | WT8 | | Name: | 7-Acetamido-5-acetimidoyl-3,5,7,9-tetradeoxy-L-glycero-L-manno-nonulosonic aci | | Formula: | C13 H23 N3 O7 | | SMILES: | C[CH](O)[CH](NC(C)=O)[CH]1O[C](O)(C[CH](O)[CH]1NC(C)=N)C(O)=O | | InChi: | InChI=1S/C13H23N3O7/c1-5(17)9(16-7(3)18)11-10(15-6(2)14)8(19)4-13(22,23-11)12(20)21/h5,8-11,17,19,22H,4H2,1-3H3,(H2,14,15)(H,16,18)(H,20,21)/t5-,8-,9-,10-,11-,13+/m0/s1 | | Definition date: | 2023-10-12 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | 6-(1-acetamido-2-oxidanyl-propyl)-5-(ethanimidoylamino)-2,4-bis(oxidanyl)oxane-2-carboxylic acid |
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 | | WUE | | Name: | (2~{S})-2-(4-naphthalen-1-ylphenoxy)-3-phenyl-propanoic acid | | Formula: | C25 H20 O3 | | SMILES: | OC(=O)[CH](Cc1ccccc1)Oc2ccc(cc2)c3cccc4ccccc34 | | InChi: | InChI=1S/C25H20O3/c26-25(27)24(17-18-7-2-1-3-8-18)28-21-15-13-20(14-16-21)23-12-6-10-19-9-4-5-11-22(19)23/h1-16,24H,17H2,(H,26,27)/t24-/m0/s1 | | Definition date: | 2023-10-13 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | (2~{S})-2-(4-naphthalen-1-ylphenoxy)-3-phenyl-propanoic acid |
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 | | A1IDE | | Name: | 5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-1~{H}-pyrazolo[1,5-a]pyrimidine | | Formula: | C15 H13 N6 | | SMILES: | Cn1cc(cn1)c2cc[n+]3[nH]cc(c4ccncc4)c3n2 | | InChi: | InChI=1S/C15H12N6/c1-20-10-12(8-17-20)14-4-7-21-15(19-14)13(9-18-21)11-2-5-16-6-3-11/h2-10H,1H3/p+1 | | Definition date: | 2024-06-05 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | 5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-1~{H}-pyrazolo[1,5-a]pyrimidin-8-ium |
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 | | WF9 | | Name: | (2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}-5-carbamimidamidopentanoic acid (non-preferred name) | | Formula: | C16 H26 N9 O8 P | | SMILES: | O=C(O)C(CCCNC(=N)N)NP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C16H26N9O8P/c17-12-9-13(22-5-21-12)25(6-23-9)14-11(27)10(26)8(33-14)4-32-34(30,31)24-7(15(28)29)2-1-3-20-16(18)19/h5-8,10-11,14,26-27H,1-4H2,(H,28,29)(H2,17,21,22)(H4,18,19,20)(H2,24,30,31)/t7-,8+,10+,11+,14+/m0/s1 | | Definition date: | 2023-10-02 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | (2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}-5-carbamimidamidopentanoic acid (non-preferred name) |
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