CAS RN: 86365-02-8
CAS Name: 1-[(6aR,8R,9R,9aR)-9-(1,3-benzodithiol-2-yloxy)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione
OPENEYE Name: 1-[(6aR,8R,9R,9aR)-9-(1,3-benzodithiol-2-yloxy)-2,2,4,4-tetraisopropyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[(6aR,8R,9R,9aR)-9-(1,3-benzodithiol-2-yloxy)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(6aR,8R,9R,9aR)-9-(1,3-benzodithiol-2-yloxy)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C28H42N2O7S2Si2
MOLECULAR WEIGHT: 638.94328
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)OC4SC5=CC=CC=C5S4)O[Si](O1)(C(C)C)C(C)C)C(C)C
Structure:
CAS RN: 86361-68-4
CAS Name: (8S,9S,10R,13R,14S,17S)-6-fluoro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (8S,9S,10R,13R,14S,17S)-17-[(1R)-1,5-dimethylhexyl]-6-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (8S,9S,10R,13R,14S,17S)-6-fluoro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (8S,9S,10R,13R,14S,17S)-6-fluoranyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H45FO
MOLECULAR WEIGHT: 404.644003
SMILES: C[C@H](CCCC(C)C)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=C4[C@@]3(CCC(C4)O)C)F)C
Structure:
CAS RN: 86360-62-5
CAS Name: 3,4-dihydro-2H-1,4-thiazine-3,5-dicarboxylic acid
OPENEYE Name: 3,4-dihydro-2H-1,4-thiazine-3,5-dicarboxylic acid
IUPAC Name: 3,4-dihydro-2H-1,4-thiazine-3,5-dicarboxylic acid
SYSTEMATIC NAME: 3,4-dihydro-2H-1,4-thiazine-3,5-dicarboxylic acid
MOLECULAR FORMULA: C6H7NO4S
MOLECULAR WEIGHT: 189.18908
SMILES: C1C(NC(=CS1)C(=O)O)C(=O)O
Structure:
CAS RN: 86356-77-6
CAS Name: 5-[[(2S)-1-[[[(2S)-1-[(2R)-2-amino-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-hydroxybenzoic acid dihydrochloride
OPENEYE Name: 5-[[(1S)-1-[[(2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]carbamoyl]-4-guanidino-butyl]amino]-2-hydroxy-benzoic acid dihydrochloride
IUPAC Name: 5-[[(2S)-1-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-hydroxybenzoic acid dihydrochloride
SYSTEMATIC NAME: 5-[[(2S)-1-[[(2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanyl-benzoic acid dihydrochloride
MOLECULAR FORMULA: C27H37Cl2N7O6
MOLECULAR WEIGHT: 626.53198
SMILES: C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)N)C(=O)NC(=O)[C@H](CCCN=C(N)N)NC3=CC(=C(C=C3)O)C(=O)O.Cl.Cl
Structure:
CAS RN: 52186-07-9
CAS Name: 2,8-bis[phenyl-(phenylmethylthio)methyl]-1-cyclooctanone
OPENEYE Name: 2,8-bis[benzylsulfanyl(phenyl)methyl]cyclooctanone
IUPAC Name: 2,8-bis[benzylsulfanyl(phenyl)methyl]cyclooctan-1-one
SYSTEMATIC NAME: 2,8-bis[phenyl-(phenylmethylsulfanyl)methyl]cyclooctan-1-one
MOLECULAR FORMULA: C36H38OS2
MOLECULAR WEIGHT: 550.81632
SMILES: C1CCC(C(=O)C(CC1)C(C2=CC=CC=C2)SCC3=CC=CC=C3)C(C4=CC=CC=C4)SCC5=CC=CC=C5
Structure:
CAS RN: 52186-03-5
CAS Name: 2-oxo-1-(2-phenylethyl)-1-cyclooctanecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-oxo-1-(2-phenylethyl)cyclooctanecarboxylate
IUPAC Name: ethyl 2-oxo-1-(2-phenylethyl)cyclooctane-1-carboxylate
SYSTEMATIC NAME: ethyl 2-oxidanylidene-1-(2-phenylethyl)cyclooctane-1-carboxylate
MOLECULAR FORMULA: C19H26O3
MOLECULAR WEIGHT: 302.40794
SMILES: CCOC(=O)C1(CCCCCCC1=O)CCC2=CC=CC=C2
Structure:
CAS RN: 6312-16-9
CAS Name: N-propyl-N-[2-(2-pyridinyl)ethyl]-1-propanamine
OPENEYE Name: N-propyl-N-[2-(2-pyridyl)ethyl]propan-1-amine
IUPAC Name: N-propyl-N-(2-pyridin-2-ylethyl)propan-1-amine
SYSTEMATIC NAME: N-propyl-N-(2-pyridin-2-ylethyl)propan-1-amine
MOLECULAR FORMULA: C13H22N2
MOLECULAR WEIGHT: 206.32718
SMILES: CCCN(CCC)CCC1=CC=CC=N1
Structure:
CAS RN: 51943-26-1
CAS Name: N-propyl-N-[2-(2-pyridinyl)ethyl]-1-propanamine dihydrochloride
OPENEYE Name: N-propyl-N-[2-(2-pyridyl)ethyl]propan-1-amine dihydrochloride
IUPAC Name: N-propyl-N-(2-pyridin-2-ylethyl)propan-1-amine dihydrochloride
SYSTEMATIC NAME: N-propyl-N-(2-pyridin-2-ylethyl)propan-1-amine dihydrochloride
MOLECULAR FORMULA: C13H24Cl2N2
MOLECULAR WEIGHT: 279.24906
SMILES: CCCN(CCC)CCC1=CC=CC=N1.Cl.Cl
Structure:
CAS RN: 51541-48-1
CAS Name: 2-bromoacetic acid [(8S,9S,10R,13S,14S,16R,17R)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] ester
OPENEYE Name: [(8S,9S,10R,13S,14S,16R,17R)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] 2-bromoacetate
IUPAC Name: [(8S,9S,10R,13S,14S,16R,17R)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] 2-bromoacetate
SYSTEMATIC NAME: [(8S,9S,10R,13S,14S,16R,17R)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] 2-bromanylethanoate
MOLECULAR FORMULA: C23H31BrO4
MOLECULAR WEIGHT: 451.39384
SMILES: CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)OC(=O)CBr
Structure:
CAS RN: 51298-62-5
CAS Name: (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoic acid methyl ester hydrochloride
OPENEYE Name: methyl (2S)-2-amino-5-[[amino(nitramido)methylene]amino]pentanoate hydrochloride
IUPAC Name: methyl (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoate hydrochloride
SYSTEMATIC NAME: methyl (2S)-2-azanyl-5-[[azanyl(nitramido)methylidene]amino]pentanoate hydrochloride
MOLECULAR FORMULA: C7H16ClN5O4
MOLECULAR WEIGHT: 269.68604
SMILES: COC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])N.Cl
Structure:
CAS RN: 51044-84-9
CAS Name: 3-(ethenylthio)-2-oxazolidinone
OPENEYE Name: 3-vinylsulfanyloxazolidin-2-one
IUPAC Name: 3-ethenylsulfanyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-ethenylsulfanyl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C5H7NO2S
MOLECULAR WEIGHT: 145.17958
SMILES: C=CSN1CCOC1=O
Structure:
CAS RN: 58-86-6
CAS Name: (3R,4S,5R)-oxane-2,3,4,5-tetrol
OPENEYE Name: (3R,4S,5R)-tetrahydropyran-2,3,4,5-tetrol
IUPAC Name: (3R,4S,5R)-oxane-2,3,4,5-tetrol
SYSTEMATIC NAME: (3R,4S,5R)-oxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C5H10O5
MOLECULAR WEIGHT: 150.1299
SMILES: C1[C@H]([C@@H]([C@H](C(O1)O)O)O)O
Structure:
CAS RN: 50855-32-8
CAS Name: (3R,4S,5R)-oxane-2,3,4,5-tetrol
OPENEYE Name: (3R,4S,5R)-tetrahydropyran-2,3,4,5-tetrol
IUPAC Name: (3R,4S,5R)-oxane-2,3,4,5-tetrol
SYSTEMATIC NAME: (3R,4S,5R)-oxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C5H10O5
MOLECULAR WEIGHT: 150.1299
SMILES: C1[C@H]([C@@H]([C@H](C(O1)O)O)O)O
Structure:
CAS RN: 51003-80-6
CAS Name: N,N-dimethyl-6-propyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine
OPENEYE Name: N,N-dimethyl-6-propyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine
IUPAC Name: N,N-dimethyl-6-propyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine
SYSTEMATIC NAME: N,N-dimethyl-6-propyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine
MOLECULAR FORMULA: C15H19NO2
MOLECULAR WEIGHT: 245.31686
SMILES: CCCC1=CC2=CC3=C(C=C2C1N(C)C)OCO3
Structure:
CAS RN: 50692-78-9
CAS Name: 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]propanoic acid methyl ester
OPENEYE Name: methyl 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoate
IUPAC Name: methyl 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
SYSTEMATIC NAME: methyl 3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoate
MOLECULAR FORMULA: C10H19NO5
MOLECULAR WEIGHT: 233.26156
SMILES: CC(C)(CO)[C@H](C(=O)NCCC(=O)OC)O
Structure:
CAS RN: 74068-00-1
CAS Name: 1-(4-phenylcyclohexyl)ethanamine
OPENEYE Name: 1-(4-phenylcyclohexyl)ethanamine
IUPAC Name: 1-(4-phenylcyclohexyl)ethanamine
SYSTEMATIC NAME: 1-(4-phenylcyclohexyl)ethanamine
MOLECULAR FORMULA: C14H21N
MOLECULAR WEIGHT: 203.32324
SMILES: CC(C1CCC(CC1)C2=CC=CC=C2)N
Structure:
CAS RN: 84871-12-5
CAS Name: 1-(4-phenylcyclohexyl)ethanamine
OPENEYE Name: 1-(4-phenylcyclohexyl)ethanamine
IUPAC Name: 1-(4-phenylcyclohexyl)ethanamine
SYSTEMATIC NAME: 1-(4-phenylcyclohexyl)ethanamine
MOLECULAR FORMULA: C14H21N
MOLECULAR WEIGHT: 203.32324
SMILES: CC(C1CCC(CC1)C2=CC=CC=C2)N
Structure:
CAS RN: 47195-07-3
CAS Name: (5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester
OPENEYE Name: methyl (5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
IUPAC Name: methyl (5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
SYSTEMATIC NAME: methyl (5S)-8-methyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate
MOLECULAR FORMULA: C17H21NO4
MOLECULAR WEIGHT: 303.35294
SMILES: CN1[C@H]2CCC1CC(C2C(=O)OC)OC(=O)C3=CC=CC=C3
Structure:
CAS RN: 86282-02-2
CAS Name: 2-methoxyacetic acid [(8S,9S,10R,13S,14S,17R)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8S,9S,10R,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 2-methoxyacetate
IUPAC Name: [(8S,9S,10R,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 2-methoxyacetate
SYSTEMATIC NAME: [(8S,9S,10R,13S,14S,17R)-6,10,13-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 2-methoxyethanoate
MOLECULAR FORMULA: C25H34O7
MOLECULAR WEIGHT: 446.53326
SMILES: CC1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)OC(=O)COC
Structure:
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