CAS RN: 69945-42-2
CAS Name: pyridine-2,6-dicarbothioate
OPENEYE Name: pyridine-2,6-dicarbothioate
IUPAC Name: pyridine-2,6-dicarbothioate
SYSTEMATIC NAME: pyridine-2,6-dicarbothioate
MOLECULAR FORMULA: C7H3NO2S2-2
MOLECULAR WEIGHT: 197.23422
SMILES: C1=CC(=NC(=C1)C(=S)[O-])C(=S)[O-]
Structure:
CAS RN: 1986-14-7
CAS Name: (2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxy-2-oxanecarboxylate
OPENEYE Name: (2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylate
IUPAC Name: (2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
SYSTEMATIC NAME: (2S,3S,4S,5S,6S)-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxylate
MOLECULAR FORMULA: C6H9O7-
MOLECULAR WEIGHT: 193.13146
SMILES: [C@@H]1([C@@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)[O-])O)O
Structure:
CAS RN: 2616-64-0
CAS Name: (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-3,4,5-trihydroxy-2-oxanecarboxylate
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate
IUPAC Name: (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate
MOLECULAR FORMULA: C15H19N2O18P2-3
MOLECULAR WEIGHT: 577.261482
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)O)O
Structure:
CAS RN: 60317-54-6
CAS Name: 8-(carboxylatomethylamino)-8-oxooctanoate
OPENEYE Name: 8-(carboxylatomethylamino)-8-oxo-octanoate
IUPAC Name: 8-(carboxylatomethylamino)-8-oxooctanoate
SYSTEMATIC NAME: 8-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-8-oxidanylidene-octanoate
MOLECULAR FORMULA: C10H15NO5-2
MOLECULAR WEIGHT: 229.2298
SMILES: C(CCCC(=O)[O-])CCC(=O)NCC(=O)[O-]
Structure:
CAS RN: 987-78-0
CAS Name: [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C14H25N4O11P2-
MOLECULAR WEIGHT: 487.316022
SMILES: C[N+](C)(C)CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O
Structure:
CAS RN: 56257-85-3
CAS Name: [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C14H25N4O11P2-
MOLECULAR WEIGHT: 487.316022
SMILES: C[N+](C)(C)CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O
Structure:
CAS RN: 148471-94-7
CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[4-[[3-[2-[[1-cyclohexa-1,5-dienyl(oxo)methyl]thio]ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl] phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[4-[[3-[2-(cyclohexa-1,5-diene-1-carbonylsulfanyl)ethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[4-[[3-[2-(cyclohexa-1,5-diene-1-carbonylsulfanyl)ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[4-[[3-(2-cyclohexa-1,5-dien-1-ylcarbonylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butoxy]-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-4-oxidanyl-oxol
MOLECULAR FORMULA: C28H38N7O17P3S-4
MOLECULAR WEIGHT: 869.624303
SMILES: CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O
Structure:
CAS RN: 43119-57-9
CAS Name: (3aR,4R,5S,6S,7R,7aS)-2-oxido-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol
OPENEYE Name: (3aR,4R,5S,6S,7R,7aS)-2-oxido-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol
IUPAC Name: (3aR,4R,5S,6S,7R,7aS)-2-oxido-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol
SYSTEMATIC NAME: (3aR,4R,5S,6S,7R,7aS)-2-oxidanidyl-2-oxidanylidene-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol
MOLECULAR FORMULA: C6H10O8P-
MOLECULAR WEIGHT: 241.112561
SMILES: [C@@H]1([C@@H]([C@H]([C@H]2[C@@H]([C@@H]1O)OP(=O)(O2)[O-])O)O)O
Structure:
CAS RN: 485-18-7
CAS Name: (1R)-1-[[4-[2-hydroxy-5-[[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol
OPENEYE Name: (1R)-1-[[4-[2-hydroxy-5-[[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol
IUPAC Name: (1R)-1-[[4-[2-hydroxy-5-[[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol
SYSTEMATIC NAME: (1R)-6-methoxy-1-[[4-[5-[[(1S)-6-methoxy-2-methyl-7-oxidanyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-2-oxidanyl-phenoxy]phenyl]methyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol
MOLECULAR FORMULA: C36H42N2O6+2
MOLECULAR WEIGHT: 598.72848
SMILES: C[NH+]1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@H]5C6=CC(=C(C=C6CC[NH+]5C)OC)O)O)O)OC
Structure:
CAS RN: 2105-23-9
CAS Name: (2S)-2-ammonio-3-carbamoyloxypropanoate
OPENEYE Name: (2S)-2-azaniumyl-3-carbamoyloxy-propanoate
IUPAC Name: (2S)-2-azaniumyl-3-carbamoyloxypropanoate
SYSTEMATIC NAME: (2S)-3-aminocarbonyloxy-2-azaniumyl-propanoate
MOLECULAR FORMULA: C4H8N2O4
MOLECULAR WEIGHT: 148.11732
SMILES: C([C@@H](C(=O)[O-])[NH3+])OC(=O)N
Structure:
CAS RN: 55528-30-8
CAS Name: (2S)-2-ammonio-4-chloro-4-pentenoate
OPENEYE Name: (2S)-2-azaniumyl-4-chloro-pent-4-enoate
IUPAC Name: (2S)-2-azaniumyl-4-chloropent-4-enoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-4-chloranyl-pent-4-enoate
MOLECULAR FORMULA: C5H8ClNO2
MOLECULAR WEIGHT: 149.57552
SMILES: C=C(C[C@@H](C(=O)[O-])[NH3+])Cl
Structure:
CAS RN: 20960-92-3
CAS Name: 3-thiomorpholin-4-iumcarboxylate
OPENEYE Name: thiomorpholin-4-ium-3-carboxylate
IUPAC Name: thiomorpholin-4-ium-3-carboxylate
SYSTEMATIC NAME: thiomorpholin-4-ium-3-carboxylate
MOLECULAR FORMULA: C5H9NO2S
MOLECULAR WEIGHT: 147.19546
SMILES: C1CSCC([NH2+]1)C(=O)[O-]
Structure:
CAS RN: 470-58-6
CAS Name: (2R,3S,4S,5R)-2-[[(2S,3R,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxymethyl]-5-(hydroxymethyl)oxolane-2,3,4-triol
OPENEYE Name: (2R,3S,4S,5R)-2-[[(2S,3R,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol
IUPAC Name: (2R,3S,4S,5R)-2-[[(2S,3R,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)oxolane-2,3,4-triol
SYSTEMATIC NAME: (2R,3S,4S,5R)-2-[[(2S,3R,4R,5S)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)oxolane-2,3,4-triol
MOLECULAR FORMULA: C12H22O11
MOLECULAR WEIGHT: 342.29648
SMILES: C([C@H]1[C@@H]([C@H]([C@@](O1)(CO)OC[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O
Structure:
CAS RN: 5302-45-4
CAS Name: (2S)-2-ammonio-3-[[carboxylato(oxo)methyl]amino]propanoate
OPENEYE Name: (2S)-2-azaniumyl-3-[(carboxylatoformyl)amino]propanoate
IUPAC Name: (2S)-2-azaniumyl-3-[(carboxylatoformyl)amino]propanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-3-[(2-oxidanidyl-2-oxidanylidene-ethanoyl)amino]propanoate
MOLECULAR FORMULA: C5H7N2O5-
MOLECULAR WEIGHT: 175.11948
SMILES: C([C@@H](C(=O)[O-])[NH3+])NC(=O)C(=O)[O-]
Structure:
CAS RN: 434-16-2
CAS Name: (3S,10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,10R,13R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H44O
MOLECULAR WEIGHT: 384.63766
SMILES: C[C@H](CCCC(C)C)C1CCC2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
CAS RN: 136598-66-8
CAS Name: [(2S,3S,4R,5S)-3,4,5-trihydroxy-5-(hydroxymethyl)-2-oxolanyl]methyl phosphate
OPENEYE Name: [(2S,3S,4R,5S)-3,4,5-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methyl phosphate
IUPAC Name: [(2S,3S,4R,5S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl phosphate
SYSTEMATIC NAME: [(2S,3S,4R,5S)-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl phosphate
MOLECULAR FORMULA: C6H11O9P-2
MOLECULAR WEIGHT: 258.119901
SMILES: C([C@H]1[C@H]([C@H]([C@@](O1)(CO)O)O)O)OP(=O)([O-])[O-]
Structure:
CAS RN: 17094-01-8
CAS Name: 2-amino-6-[(2S)-2-hydroxy-1-oxopropyl]-7,8-dihydropteridin-4-olate
OPENEYE Name: 2-amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydropteridin-4-olate
IUPAC Name: 2-amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydropteridin-4-olate
SYSTEMATIC NAME: 2-azanyl-6-[(2S)-2-oxidanylpropanoyl]-7,8-dihydropteridin-4-olate
MOLECULAR FORMULA: C9H10N5O3-
MOLECULAR WEIGHT: 236.2074
SMILES: C[C@@H](C(=O)C1=NC2=C(NC1)N=C(N=C2[O-])N)O
Structure:
CAS RN: 65592-96-3
CAS Name: 2-(1H-imidazol-5-yl)ethylammonium
OPENEYE Name: 2-(1H-imidazol-5-yl)ethylammonium
IUPAC Name: 2-(1H-imidazol-5-yl)ethylazanium
SYSTEMATIC NAME: 2-(1H-imidazol-5-yl)ethylazanium
MOLECULAR FORMULA: C5H10N3+
MOLECULAR WEIGHT: 112.153
SMILES: C1=C(NC=N1)CC[NH3+]
Structure:
CAS RN: 34522-32-2
CAS Name: (2S)-2-(1-carboxylatoethylammonio)-5-(diaminomethylideneammonio)pentanoate
OPENEYE Name: (2S)-2-(1-carboxylatoethylammonio)-5-(diaminomethyleneammonio)pentanoate
IUPAC Name: (2S)-2-(1-carboxylatoethylazaniumyl)-5-(diaminomethylideneazaniumyl)pentanoate
SYSTEMATIC NAME: (2S)-5-[bis(azanyl)methylideneazaniumyl]-2-[(1-oxidanidyl-1-oxidanylidene-propan-2-yl)azaniumyl]pentanoate
MOLECULAR FORMULA: C9H18N4O4
MOLECULAR WEIGHT: 246.26362
SMILES: CC(C(=O)[O-])[NH2+][C@@H](CCC[NH+]=C(N)N)C(=O)[O-]
Structure:
CAS RN: 2497-02-1
CAS Name: (2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoate
OPENEYE Name: (2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoate
IUPAC Name: (2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoate
SYSTEMATIC NAME: (2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoate
MOLECULAR FORMULA: C8H10N3O3-
MOLECULAR WEIGHT: 196.1833
SMILES: CC(=O)N[C@@H](CC1=CN=CN1)C(=O)[O-]
Structure:
CAS RN: 692-04-6
CAS Name: 6-acetamido-2-ammoniohexanoate
OPENEYE Name: 6-acetamido-2-azaniumyl-hexanoate
IUPAC Name: 6-acetamido-2-azaniumylhexanoate
SYSTEMATIC NAME: 6-acetamido-2-azaniumyl-hexanoate
MOLECULAR FORMULA: C8H16N2O3
MOLECULAR WEIGHT: 188.22424
SMILES: CC(=O)NCCCCC(C(=O)[O-])[NH3+]
Structure:
CAS RN: 5060-32-2
CAS Name: [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(1-oxohexylthio)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-3-oxolanyl] phosphate
OPENEYE Name: [5-(6-aminopurin-9-yl)-2-[[[[4-[[3-(2-hexanoylsulfanylethylamino)-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] phosphate
IUPAC Name: [5-(6-aminopurin-9-yl)-2-[[[[4-[[3-(2-hexanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
SYSTEMATIC NAME: [5-(6-aminopurin-9-yl)-2-[[[[4-[[3-(2-hexanoylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butoxy]-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] phosphate
MOLECULAR FORMULA: C27H42N7O17P3S-4
MOLECULAR WEIGHT: 861.645363
SMILES: CCCCCC(=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: 13015-87-7
CAS Name: acetyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl phosphate
OPENEYE Name: acetyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
IUPAC Name: acetyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ethanoyl phosphate
MOLECULAR FORMULA: C12H15N5O8P-
MOLECULAR WEIGHT: 388.249961
SMILES: CC(=O)OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O
Structure:
CAS RN: 4439-83-2
CAS Name: (2R)-2-ammonio-4-oxopentanoate
OPENEYE Name: (2R)-2-azaniumyl-4-oxo-pentanoate
IUPAC Name: (2R)-2-azaniumyl-4-oxopentanoate
SYSTEMATIC NAME: (2R)-2-azaniumyl-4-oxidanylidene-pentanoate
MOLECULAR FORMULA: C5H9NO3
MOLECULAR WEIGHT: 131.12986
SMILES: CC(=O)C[C@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 4356-84-7
CAS Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxy-2-oxanecarboxylate
OPENEYE Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-carboxylate
IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylate
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate
MOLECULAR FORMULA: C7H11O7-
MOLECULAR WEIGHT: 207.15804
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)[O-])O)O)O
Structure:
CAS RN: 134253-42-2
CAS Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxy-2-oxanecarboxylate
OPENEYE Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-carboxylate
IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylate
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate
MOLECULAR FORMULA: C7H11O7-
MOLECULAR WEIGHT: 207.15804
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)[O-])O)O)O
Structure:
CAS RN: 34450-15-2
CAS Name: 4-acetamidobutyl(3-ammoniopropyl)ammonium
OPENEYE Name: 4-acetamidobutyl(3-azaniumylpropyl)ammonium
IUPAC Name: 4-acetamidobutyl(3-azaniumylpropyl)azanium
SYSTEMATIC NAME: 4-acetamidobutyl(3-azaniumylpropyl)azanium
MOLECULAR FORMULA: C9H23N3O+2
MOLECULAR WEIGHT: 189.29842
SMILES: CC(=O)NCCCC[NH2+]CCC[NH3+]
Structure:
CAS RN: 462-93-1
CAS Name: 5-(diaminomethylideneammonio)pentanoate
OPENEYE Name: 5-(diaminomethyleneammonio)pentanoate
IUPAC Name: 5-(diaminomethylideneazaniumyl)pentanoate
SYSTEMATIC NAME: 5-[bis(azanyl)methylideneazaniumyl]pentanoate
MOLECULAR FORMULA: C6H13N3O2
MOLECULAR WEIGHT: 159.18632
SMILES: C(CC[NH+]=C(N)N)CC(=O)[O-]
Structure:
CAS RN: 6659-35-4
CAS Name: 6-(diaminomethylideneammonio)hexanoate
OPENEYE Name: 6-(diaminomethyleneammonio)hexanoate
IUPAC Name: 6-(diaminomethylideneazaniumyl)hexanoate
SYSTEMATIC NAME: 6-[bis(azanyl)methylideneazaniumyl]hexanoate
MOLECULAR FORMULA: C7H15N3O2
MOLECULAR WEIGHT: 173.2129
SMILES: C(CCC(=O)[O-])CC[NH+]=C(N)N
Structure:
CAS RN: 32972-52-4
CAS Name: [(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxy-2-oxanyl]methyl phosphate
OPENEYE Name: [(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl phosphate
IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl phosphate
MOLECULAR FORMULA: C6H11O9P-2
MOLECULAR WEIGHT: 258.119901
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)([O-])[O-]
Structure:
CAS RN: 79-63-0
CAS Name: (3S,10S,13R,14R)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,10S,13R,14R)-17-(1,5-dimethylhex-4-enyl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,10S,13R,14R)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,10S,13R,14R)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C30H50O
MOLECULAR WEIGHT: 426.7174
SMILES: CC(CCC=C(C)C)C1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
Structure:
CAS RN: 22818-40-2
CAS Name: (2R)-2-ammonio-2-(4-hydroxyphenyl)acetate
OPENEYE Name: (2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetate
IUPAC Name: (2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetate
SYSTEMATIC NAME: (2R)-2-azaniumyl-2-(4-hydroxyphenyl)ethanoate
MOLECULAR FORMULA: C8H9NO3
MOLECULAR WEIGHT: 167.16196
SMILES: C1=CC(=CC=C1[C@H](C(=O)[O-])[NH3+])O
Structure:
CAS RN: 46495-39-0
CAS Name: [(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
OPENEYE Name: [(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
IUPAC Name: [(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
SYSTEMATIC NAME: [(2R,3S,5S,6S)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] phosphate
MOLECULAR FORMULA: C6H11O9P-2
MOLECULAR WEIGHT: 258.119901
SMILES: [C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)([O-])[O-])O)O
Structure:
CAS RN: 1991-78-2
CAS Name: 2-ammonio-3-(4-chlorophenyl)propanoate
OPENEYE Name: 2-azaniumyl-3-(4-chlorophenyl)propanoate
IUPAC Name: 2-azaniumyl-3-(4-chlorophenyl)propanoate
SYSTEMATIC NAME: 2-azaniumyl-3-(4-chlorophenyl)propanoate
MOLECULAR FORMULA: C9H10ClNO2
MOLECULAR WEIGHT: 199.6342
SMILES: C1=CC(=CC=C1CC(C(=O)[O-])[NH3+])Cl
Structure:
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