CAS RN: 205985-93-9
CAS Name: (2S,4S)-2-phenyl-4-thiazolidin-3-iumcarboxylate
OPENEYE Name: (2S,4S)-2-phenylthiazolidin-3-ium-4-carboxylate
IUPAC Name: (2S,4S)-2-phenyl-1,3-thiazolidin-3-ium-4-carboxylate
SYSTEMATIC NAME: (2S,4S)-2-phenyl-1,3-thiazolidin-3-ium-4-carboxylate
MOLECULAR FORMULA: C10H11NO2S
MOLECULAR WEIGHT: 209.26484
SMILES: C1[C@@H]([NH2+][C@@H](S1)C2=CC=CC=C2)C(=O)[O-]
Structure:
CAS RN: 57600-04-1
CAS Name: 4-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-thiolate
OPENEYE Name: 4-phenyl-5-(2-thienyl)-1,2,4-triazole-3-thiolate
IUPAC Name: 4-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-thiolate
SYSTEMATIC NAME: 4-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-thiolate
MOLECULAR FORMULA: C12H8N3S2-
MOLECULAR WEIGHT: 258.34202
SMILES: C1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC=CS3
Structure:
CAS RN: 103745-39-7
CAS Name: 5-(1,4-diazepan-4-ium-1-ylsulfonyl)isoquinoline
OPENEYE Name: 5-(1,4-diazepan-4-ium-1-ylsulfonyl)isoquinoline
IUPAC Name: 5-(1,4-diazepan-4-ium-1-ylsulfonyl)isoquinoline
SYSTEMATIC NAME: 5-(1,4-diazepan-4-ium-1-ylsulfonyl)isoquinoline
MOLECULAR FORMULA: C14H18N3O2S+
MOLECULAR WEIGHT: 292.37662
SMILES: C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3
Structure:
CAS RN: 164391-47-3
CAS Name: 4-(1H-imidazol-5-ylmethyl)piperidin-1-ium
OPENEYE Name: 4-(1H-imidazol-5-ylmethyl)piperidin-1-ium
IUPAC Name: 4-(1H-imidazol-5-ylmethyl)piperidin-1-ium
SYSTEMATIC NAME: 4-(1H-imidazol-5-ylmethyl)piperidin-1-ium
MOLECULAR FORMULA: C9H16N3+
MOLECULAR WEIGHT: 166.24344
SMILES: C1C[NH2+]CCC1CC2=CN=CN2
Structure:
CAS RN: 89197-00-2
CAS Name: 2-[(2S)-2-ethyl-3H-benzofuran-2-yl]-4,5-dihydro-1H-imidazol-3-ium
OPENEYE Name: 2-[(2S)-2-ethyl-3H-benzofuran-2-yl]-4,5-dihydro-1H-imidazol-3-ium
IUPAC Name: 2-[(2S)-2-ethyl-3H-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazol-3-ium
SYSTEMATIC NAME: 2-[(2S)-2-ethyl-3H-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazol-3-ium
MOLECULAR FORMULA: C13H17N2O+
MOLECULAR WEIGHT: 217.28688
SMILES: CC[C@]1(CC2=CC=CC=C2O1)C3=[NH+]CCN3
Structure:
CAS RN: 43229-80-7
CAS Name: [(2S)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]-[(2S)-1-(4-methoxyphenyl)propan-2-yl]ammonium
OPENEYE Name: [(2S)-2-(3-formamido-4-hydroxy-phenyl)-2-hydroxy-ethyl]-[(1S)-2-(4-methoxyphenyl)-1-methyl-ethyl]ammonium
IUPAC Name: [(2S)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]-[(2S)-1-(4-methoxyphenyl)propan-2-yl]azanium
SYSTEMATIC NAME: [(2S)-2-(3-formamido-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]-[(2S)-1-(4-methoxyphenyl)propan-2-yl]azanium
MOLECULAR FORMULA: C19H25N2O4+
MOLECULAR WEIGHT: 345.4128
SMILES: C[C@@H](CC1=CC=C(C=C1)OC)[NH2+]C[C@H](C2=CC(=C(C=C2)O)NC=O)O
Structure:
CAS RN: 122751-66-0
CAS Name: 3-hydroxyhexacosanoic acid
OPENEYE Name: 3-hydroxyhexacosanoic acid
IUPAC Name: 3-hydroxyhexacosanoic acid
SYSTEMATIC NAME: 3-oxidanylhexacosanoic acid
MOLECULAR FORMULA: C26H52O3
MOLECULAR WEIGHT: 412.68928
SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(CC(=O)O)O
Structure:
CAS RN: 699-05-8
CAS Name: (4-fluorophenyl)methylhydrazine hydrochloride
OPENEYE Name: (4-fluorophenyl)methylhydrazine hydrochloride
IUPAC Name: (4-fluorophenyl)methylhydrazine hydrochloride
SYSTEMATIC NAME: (4-fluorophenyl)methyldiazane hydrochloride
MOLECULAR FORMULA: C7H10ClFN2
MOLECULAR WEIGHT: 176.619103
SMILES: C1=CC(=CC=C1CNN)F.Cl
Structure:
CAS RN: 505-75-9
CAS Name: (8E,10E,12E,14R)-heptadeca-8,10,12-trien-4,6-diyne-1,14-diol
OPENEYE Name: (8E,10E,12E,14R)-heptadeca-8,10,12-trien-4,6-diyne-1,14-diol
IUPAC Name: (8E,10E,12E,14R)-heptadeca-8,10,12-trien-4,6-diyne-1,14-diol
SYSTEMATIC NAME: (8E,10E,12E,14R)-heptadeca-8,10,12-trien-4,6-diyne-1,14-diol
MOLECULAR FORMULA: C17H22O2
MOLECULAR WEIGHT: 258.35538
SMILES: CCC[C@H](/C=C/C=C/C=C/C#CC#CCCCO)O
Structure:
CAS RN: 94089-14-2
CAS Name: 2-phenoxyethaneperoxoic acid 2-methylbutan-2-yl ester
OPENEYE Name: 1,1-dimethylpropyl 2-phenoxyperoxyacetate
IUPAC Name: 2-methylbutan-2-yl 2-phenoxyethaneperoxoate
SYSTEMATIC NAME: 2-methylbutan-2-yl 2-phenoxyethaneperoxoate
MOLECULAR FORMULA: C13H18O4
MOLECULAR WEIGHT: 238.27962
SMILES: CCC(C)(C)OOC(=O)COC1=CC=CC=C1
Structure:
CAS RN: 93778-67-7
CAS Name: 2,2-dimethylbutaneperoxoic acid 2-methylbutan-2-yl ester
OPENEYE Name: 1,1-dimethylpropyl 2,2-dimethylbutaneperoxoate
IUPAC Name: 2-methylbutan-2-yl 2,2-dimethylbutaneperoxoate
SYSTEMATIC NAME: 2-methylbutan-2-yl 2,2-dimethylbutaneperoxoate
MOLECULAR FORMULA: C11H22O3
MOLECULAR WEIGHT: 202.29058
SMILES: CCC(C)(C)C(=O)OOC(C)(C)CC
Structure:
CAS RN: 67990-22-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H17N8Na3O12S2
MOLECULAR WEIGHT: 802.59099
SMILES: C1=CC=C(C=C1)N=NC2=C(C(=C(C3=C(C(=C(C=C32)S(=O)(=O)[O-])N=NC4=CC=C(C=C4)[N+](=O)[O-])N)O)N=NC5=CC(=C(C=C5)O)C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 864265-77-0
CAS Name: 2-bromo-1,3-benzothiazole-6-carbonitrile
OPENEYE Name: 2-bromo-1,3-benzothiazole-6-carbonitrile
IUPAC Name: 2-bromo-1,3-benzothiazole-6-carbonitrile
SYSTEMATIC NAME: 2-bromanyl-1,3-benzothiazole-6-carbonitrile
MOLECULAR FORMULA: C8H3BrN2S
MOLECULAR WEIGHT: 239.09182
SMILES: C1=CC2=C(C=C1C#N)SC(=N2)Br
Structure:
CAS RN: 858643-95-5
CAS Name: 3-acetyl-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-acetylpyrrolidine-1-carboxylate
IUPAC Name: tert-butyl 3-acetylpyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-ethanoylpyrrolidine-1-carboxylate
MOLECULAR FORMULA: C11H19NO3
MOLECULAR WEIGHT: 213.27346
SMILES: CC(=O)C1CCN(C1)C(=O)OC(C)(C)C
Structure:
CAS RN: 1132681-38-9
CAS Name: 5-chloro-N-[[(5S)-2-oxo-3-[2,3,5,6-tetradeuterio-4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-2-thiophenecarboxamide
OPENEYE Name: 5-chloro-N-[[(5S)-2-oxo-3-[2,3,5,6-tetradeuterio-4-(3-oxomorpholin-4-yl)phenyl]oxazolidin-5-yl]methyl]thiophene-2-carboxamide
IUPAC Name: 5-chloro-N-[[(5S)-2-oxo-3-[2,3,5,6-tetradeuterio-4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SYSTEMATIC NAME: 5-chloranyl-N-[[(5S)-2-oxidanylidene-3-[2,3,5,6-tetradeuterio-4-(3-oxidanylidenemorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C19H18ClN3O5S
MOLECULAR WEIGHT: 439.905967
SMILES: [2H]C1=C(C(=C(C(=C1N2CCOCC2=O)[2H])[2H])N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl)[2H]
Structure:
CAS RN: 1032182-14-1
CAS Name: N-[[(5S)-3-[3-fluoro-4-(2,2,3,3,5,5,6,6-octadeuterio-4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
OPENEYE Name: N-[[(5S)-3-[3-fluoro-4-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
IUPAC Name: N-[[(5S)-3-[3-fluoro-4-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SYSTEMATIC NAME: N-[[(5S)-3-[3-fluoranyl-4-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide
MOLECULAR FORMULA: C16H20FN3O4
MOLECULAR WEIGHT: 345.395397
SMILES: [2H]C1(C(OC(C(N1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C)F)([2H])[2H])([2H])[2H])([2H])[2H])[2H]
Structure:
CAS RN: 39288-61-4
CAS Name: [2-[[[(2S)-1-[(2R)-2-[[2-[[[2-amino-9-[[[1-[[(2R)-1-[(2S)-2-[[[2-[(1,1-dihydroxy-3-methylbutan-2-yl)-methylammonio]-2-hydroxyethyl]-methylamino]-hydroxymethyl]-1-pyrrolidin-1-iumyl]-1-hydroxy-3-methylbutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-oxom
OPENEYE Name: [2-[[[(2S)-1-[(2R)-2-[[2-[[2-amino-9-[[1-[[(1R)-1-[[(2S)-2-[[[2-[[1-(dihydroxymethyl)-2-methyl-propyl]-methyl-ammonio]-2-hydroxy-ethyl]-methyl-amino]-hydroxy-methyl]pyrrolidin-1-ium-1-yl]-hydroxy-methyl]-2-methyl-propyl]carbamoyl]-2-hydroxy-propyl]carbamo
IUPAC Name: [2-[[[(2S)-1-[(2R)-2-[[2-[[2-amino-9-[[1-[[(2R)-1-[(2S)-2-[[[2-[(1,1-dihydroxy-3-methylbutan-2-yl)-methylazaniumyl]-2-hydroxyethyl]-methylamino]-hydroxymethyl]pyrrolidin-1-ium-1-yl]-1-hydroxy-3-methylbutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-
SYSTEMATIC NAME: [2-[[[(2S)-1-[(2R)-2-[[2-[[2-azanyl-4,6-dimethyl-9-[[1-[[(2R)-3-methyl-1-[(2S)-2-[[methyl-[2-[methyl-[3-methyl-1,1-bis(oxidanyl)butan-2-yl]azaniumyl]-2-oxidanyl-ethyl]amino]-oxidanyl-methyl]pyrrolidin-1-ium-1-yl]-1-oxidanyl-butan-2-yl]amino]-3-oxidanyl-1-
MOLECULAR FORMULA: C62H109N12O18+3
MOLECULAR WEIGHT: 1310.59846
SMILES: CC1=C2C(=C(C=C1)C(=O)NC(C(C)O)C(=O)N[C@H](C(C)C)C([NH+]3CCC[C@H]3C(N(C)CC([NH+](C)C(C(C)C)C(O)O)O)O)O)N=C4C(=C(C(=O)C(=C4O2)C)N)C(=O)NC(C(C)O)C(=O)N[C@H](C(C)C)C(N5CCC[C@H]5C(N(C)CC([NH+](C)C(C(C)C)C(O)O)O)O)O
Structure:
CAS RN: 28455-13-2
CAS Name: (2E,6E)-9-[(2R)-3-ethyl-3-methyl-2-oxiranyl]-3,7-dimethylnona-2,6-dienoic acid methyl ester
OPENEYE Name: methyl (2E,6E)-9-[(2R)-3-ethyl-3-methyl-oxiran-2-yl]-3,7-dimethyl-nona-2,6-dienoate
IUPAC Name: methyl (2E,6E)-9-[(2R)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
SYSTEMATIC NAME: methyl (2E,6E)-9-[(2R)-3-ethyl-3-methyl-oxiran-2-yl]-3,7-dimethyl-nona-2,6-dienoate
MOLECULAR FORMULA: C17H28O3
MOLECULAR WEIGHT: 280.40242
SMILES: CCC1([C@H](O1)CC/C(=C/CC/C(=C/C(=O)OC)/C)/C)C
Structure:
CAS RN: 34218-61-6
CAS Name: (2E,6E)-9-[(2R)-3-ethyl-3-methyl-2-oxiranyl]-3,7-dimethylnona-2,6-dienoic acid methyl ester
OPENEYE Name: methyl (2E,6E)-9-[(2R)-3-ethyl-3-methyl-oxiran-2-yl]-3,7-dimethyl-nona-2,6-dienoate
IUPAC Name: methyl (2E,6E)-9-[(2R)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
SYSTEMATIC NAME: methyl (2E,6E)-9-[(2R)-3-ethyl-3-methyl-oxiran-2-yl]-3,7-dimethyl-nona-2,6-dienoate
MOLECULAR FORMULA: C17H28O3
MOLECULAR WEIGHT: 280.40242
SMILES: CCC1([C@H](O1)CC/C(=C/CC/C(=C/C(=O)OC)/C)/C)C
Structure:
CAS RN: 55068-73-0
CAS Name: (2E,6E)-9-[(2R)-3-ethyl-3-methyl-2-oxiranyl]-3,7-dimethylnona-2,6-dienoic acid methyl ester
OPENEYE Name: methyl (2E,6E)-9-[(2R)-3-ethyl-3-methyl-oxiran-2-yl]-3,7-dimethyl-nona-2,6-dienoate
IUPAC Name: methyl (2E,6E)-9-[(2R)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
SYSTEMATIC NAME: methyl (2E,6E)-9-[(2R)-3-ethyl-3-methyl-oxiran-2-yl]-3,7-dimethyl-nona-2,6-dienoate
MOLECULAR FORMULA: C17H28O3
MOLECULAR WEIGHT: 280.40242
SMILES: CCC1([C@H](O1)CC/C(=C/CC/C(=C/C(=O)OC)/C)/C)C
Structure:
CAS RN: 72690-01-8
CAS Name: (2E,6E)-9-[(2R)-3-ethyl-3-methyl-2-oxiranyl]-3,7-dimethylnona-2,6-dienoic acid methyl ester
OPENEYE Name: methyl (2E,6E)-9-[(2R)-3-ethyl-3-methyl-oxiran-2-yl]-3,7-dimethyl-nona-2,6-dienoate
IUPAC Name: methyl (2E,6E)-9-[(2R)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
SYSTEMATIC NAME: methyl (2E,6E)-9-[(2R)-3-ethyl-3-methyl-oxiran-2-yl]-3,7-dimethyl-nona-2,6-dienoate
MOLECULAR FORMULA: C17H28O3
MOLECULAR WEIGHT: 280.40242
SMILES: CCC1([C@H](O1)CC/C(=C/CC/C(=C/C(=O)OC)/C)/C)C
Structure:
CAS RN: 76-57-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H22NO3+
MOLECULAR WEIGHT: 300.37218
SMILES: C[NH+]1CC[C@]23[C@@H]4[C@H](C=CC2[C@H]1CC5=C3C(=C(C=C5)OC)O4)O
Structure:
CAS RN: 6450-77-7
CAS Name: 1-[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-3,4-dihydroxy-2-oxolanyl]-3-pyridin-1-iumcarboxylate
OPENEYE Name: 1-[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxylate
IUPAC Name: 1-[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylate
SYSTEMATIC NAME: 1-[5-[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyridin-1-ium-3-carboxylate
MOLECULAR FORMULA: C21H24N6O15P2-2
MOLECULAR WEIGHT: 662.393982
SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)[O-]
Structure:
CAS RN: 4484-88-2
CAS Name: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl phosphate
OPENEYE Name: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl phosphate
IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl phosphate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl phosphate
MOLECULAR FORMULA: C12H21O14P-2
MOLECULAR WEIGHT: 420.260501
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)O)O)O)O)O
Structure:
CAS RN: 1476-46-6
CAS Name: (6R,7R)-7-[[(5R)-5-ammonio-5-carboxylato-1-oxopentyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
OPENEYE Name: (6R,7R)-7-[[(5R)-5-azaniumyl-5-carboxylato-pentanoyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name: (6R,7R)-7-[[(5R)-5-azaniumyl-5-carboxylatopentanoyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (6R,7R)-7-[[(5R)-5-azaniumyl-6-oxidanidyl-6-oxidanylidene-hexanoyl]amino]-3-(hydroxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C14H18N3O7S-
MOLECULAR WEIGHT: 372.37362
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@H](C(=O)[O-])[NH3+])C(=O)[O-])CO
Structure:
CAS RN: 485-84-7
CAS Name: [(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl sulfonato phosphate
OPENEYE Name: [(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfonato phosphate
IUPAC Name: [(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfonato phosphate
SYSTEMATIC NAME: [(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfonato phosphate
MOLECULAR FORMULA: C10H12N5O10PS-2
MOLECULAR WEIGHT: 425.268541
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)([O-])OS(=O)(=O)[O-])O)O
Structure:
CAS RN: 13929-35-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H47NO14-2
MOLECULAR WEIGHT: 753.78878
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)[O-])OCC(=O)[O-])/C
Structure:
CAS RN: 6008-91-9
CAS Name: [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-[[3-[2-[(2-methyl-1-oxoprop-2-enyl)thio]ethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-3-oxolanyl] phosphate
OPENEYE Name: [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-[[3-[2-(2-methylprop-2-enoylsulfanyl)ethylamino]-3-oxo-propyl]amino]-4-oxo-butoxy]-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphate
IUPAC Name: [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-[[3-[2-(2-methylprop-2-enoylsulfanyl)ethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate
SYSTEMATIC NAME: [5-(6-aminopurin-9-yl)-2-[[[[2,2-dimethyl-4-[[3-[2-(2-methylprop-2-enoylsulfanyl)ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butoxy]-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] phosphate
MOLECULAR FORMULA: C25H36N7O17P3S-4
MOLECULAR WEIGHT: 831.576323
SMILES: CC(=C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O
Structure:
CAS RN: 343-65-7
CAS Name: 4-(2-aminophenyl)-2-ammonio-4-oxobutanoate
OPENEYE Name: 4-(2-aminophenyl)-2-azaniumyl-4-oxo-butanoate
IUPAC Name: 4-(2-aminophenyl)-2-azaniumyl-4-oxobutanoate
SYSTEMATIC NAME: 4-(2-aminophenyl)-2-azaniumyl-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C10H12N2O3
MOLECULAR WEIGHT: 208.21388
SMILES: C1=CC=C(C(=C1)C(=O)CC(C(=O)[O-])[NH3+])N
Structure:
CAS RN: 4696-76-8
CAS Name: [(1S,2R,3S,4S,5R)-5-ammonio-2-[[(2R,3R,4R,5S,6R)-3-ammonio-6-(ammoniomethyl)-4,5-dihydroxy-2-oxanyl]oxy]-4-[[(2S,3R,4S,5S,6R)-4-ammonio-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-hydroxycyclohexyl]ammonium
OPENEYE Name: [(1S,2R,3S,4S,5R)-5-azaniumyl-2-[(2R,3R,4R,5S,6R)-3-azaniumyl-6-(azaniumylmethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-azaniumyl-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]ammonium
IUPAC Name: [(1S,2R,3S,4S,5R)-5-azaniumyl-2-[(2R,3R,4R,5S,6R)-3-azaniumyl-6-(azaniumylmethyl)-4,5-dihydroxyoxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-azaniumyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]azanium
SYSTEMATIC NAME: [(1S,2R,3S,4S,5R)-5-azaniumyl-2-[(2R,3R,4R,5S,6R)-3-azaniumyl-6-(azaniumylmethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-4-azaniumyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]azanium
MOLECULAR FORMULA: C18H42N5O10+5
MOLECULAR WEIGHT: 488.55358
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1[NH3+])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)[NH3+])O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C[NH3+])O)O)[NH3+])[NH3+]
Structure:
CAS RN: 14463-33-3
CAS Name: cobalt(3+); [(2S,5S)-5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] [(2R)-1-[[1-oxo-3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl
OPENEYE Name: cobaltic [(2S,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(1R)-1-methyl-2-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-
IUPAC Name: cobalt(3+); [(2S,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12
SYSTEMATIC NAME: cobalt(3+); [(2S,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,
MOLECULAR FORMULA: C62H88CoN13O14P+
MOLECULAR WEIGHT: 1329.347781
SMILES: CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3C(C([C@@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)
Structure:
CAS RN: 57744-69-1
CAS Name: (5Z)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-5-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methylidene]-4-oxo-2-furanolate
OPENEYE Name: (5Z)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-5-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methylene]-4-oxo-furan-2-olate
IUPAC Name: (5Z)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-5-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methylidene]-4-oxofuran-2-olate
SYSTEMATIC NAME: (5Z)-3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanylidene-furan-2-olate
MOLECULAR FORMULA: C27H27O5-
MOLECULAR WEIGHT: 431.50028
SMILES: CC(=CCC1=C(C=CC(=C1)/C=C\2/C(=O)C(=C(O2)[O-])C3=CC(=C(C=C3)O)CC=C(C)C)O)C
Structure:
CAS RN: 604-98-8
CAS Name: 4-[2-[[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethylthio]-4-oxobutanoate
OPENEYE Name: 4-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-4-oxo-butanoate
IUPAC Name: 4-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-4-oxobutanoate
SYSTEMATIC NAME: 4-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonatooxy-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C25H35N7O19P3S-5
MOLECULAR WEIGHT: 862.567183
SMILES: CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCC(=O)[O-])O
Structure:
CAS RN: 6880-50-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H22N2O3
MOLECULAR WEIGHT: 350.41098
SMILES: CC=C1[C@H]2C[C@H]3C4=NC5=CC=CC=C5C46C[C@@H](C2[C@H]6OC(=O)C)N3[C@@H]1O
Structure:
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