CAS RN: 38658-53-6
CAS Name: iron(3+); (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
OPENEYE Name: ferric (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
IUPAC Name: iron(3+); (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
SYSTEMATIC NAME: iron(3+); (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoate
MOLECULAR FORMULA: C18H33FeO21
MOLECULAR WEIGHT: 641.28702
SMILES: C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Fe+3]
Structure:
CAS RN: 52152-93-9
CAS Name: sodium (6R,7R)-3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-7-[[(2R)-1-oxo-2-phenyl-2-sulfonatoethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
OPENEYE Name: sodium (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfonato-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name: sodium (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfonatoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: sodium (6R,7R)-3-[(4-aminocarbonylpyridin-1-ium-1-yl)methyl]-8-oxidanylidene-7-[[(2R)-2-phenyl-2-sulfonato-ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C22H19N4NaO8S2
MOLECULAR WEIGHT: 554.52803
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N.[Na+]
Structure:
CAS RN: 13087-53-1
CAS Name: 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
OPENEYE Name: 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
IUPAC Name: 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
SYSTEMATIC NAME: 3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C18H26I3N3O9
MOLECULAR WEIGHT: 809.12715
SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Structure:
CAS RN: 3055-99-0
CAS Name: 2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
OPENEYE Name: 2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SYSTEMATIC NAME: 2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
MOLECULAR FORMULA: C30H62O10
MOLECULAR WEIGHT: 582.80728
SMILES: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Structure:
CAS RN: 25507-04-4
CAS Name: hexadecanoic acid [(2R,3R,4S,5R,6R)-6-[2-chloro-1-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]-oxomethyl]amino]propyl]-4,5-dihydroxy-2-(methylthio)-3-oxanyl] ester hydrochloride
OPENEYE Name: [(2R,3R,4S,5R,6R)-6-[2-chloro-1-[[(2S,4R)-1-methyl-4-propyl-pyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyl-tetrahydropyran-3-yl] hexadecanoate hydrochloride
IUPAC Name: [(2R,3R,4S,5R,6R)-6-[2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] hexadecanoate hydrochloride
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-6-[2-chloranyl-1-[[(2S,4R)-1-methyl-4-propyl-pyrrolidin-2-yl]carbonylamino]propyl]-2-methylsulfanyl-4,5-bis(oxidanyl)oxan-3-yl] hexadecanoate hydrochloride
MOLECULAR FORMULA: C34H64Cl2N2O6S
MOLECULAR WEIGHT: 699.85276
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1SC)C(C(C)Cl)NC(=O)[C@@H]2C[C@H](CN2C)CCC)O)O.Cl
Structure:
CAS RN: 2508-47-6
CAS Name: benzoic acid [(8R,9S,13S,14S,16R,17R)-16,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(8R,9S,13S,14S,16R,17R)-16,17-diacetoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
IUPAC Name: [(8R,9S,13S,14S,16R,17R)-16,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
SYSTEMATIC NAME: [(8R,9S,13S,14S,16R,17R)-16,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
MOLECULAR FORMULA: C29H32O6
MOLECULAR WEIGHT: 476.56078
SMILES: CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2([C@H]1OC(=O)C)C)C=CC(=C4)OC(=O)C5=CC=CC=C5
Structure:
CAS RN: 13265-10-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H24NO4+
MOLECULAR WEIGHT: 318.38746
SMILES: C[N+]1([C@@H]2CC(C[C@H]1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C
Structure:
CAS RN: 18905-44-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H24NO4+
MOLECULAR WEIGHT: 318.38746
SMILES: C[N+]1([C@@H]2CC(C[C@H]1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C
Structure:
CAS RN: 52211-64-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H24NO4+
MOLECULAR WEIGHT: 318.38746
SMILES: C[N+]1([C@@H]2CC(C[C@H]1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C
Structure:
CAS RN: 53832-46-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H24NO4+
MOLECULAR WEIGHT: 318.38746
SMILES: C[N+]1([C@@H]2CC(C[C@H]1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C
Structure:
CAS RN: 18067-13-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H27NO8S
MOLECULAR WEIGHT: 429.48458
SMILES: C[N+]1([C@@H]2CC(C[C@H]1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.COS(=O)(=O)[O-]
Structure:
CAS RN: 177834-92-3
CAS Name: 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1H-indole hydrobromide
OPENEYE Name: 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole hydrobromide
IUPAC Name: 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole hydrobromide
SYSTEMATIC NAME: 3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[2-(phenylsulfonyl)ethyl]-1H-indole hydrobromide
MOLECULAR FORMULA: C22H27BrN2O2S
MOLECULAR WEIGHT: 463.43098
SMILES: CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4.Br
Structure:
CAS RN: 17575-22-3
CAS Name: acetic acid [(2R,3R,4S,6S)-6-[[(2R,3S,4S,6S)-6-[[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-meth
OPENEYE Name: [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyl-tetrahydrop
IUPAC Name: [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]ox
SYSTEMATIC NAME: [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-10,13-dimethyl-12,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-4-oxida
MOLECULAR FORMULA: C49H76O20
MOLECULAR WEIGHT: 985.11574
SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC(=O)C)O
Structure:
CAS RN: 167305-00-2
CAS Name: (4S,7S,10aS)-4-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-5-oxo-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
OPENEYE Name: (4S,7S,10aS)-5-oxo-4-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
IUPAC Name: (4S,7S,10aS)-5-oxo-4-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
SYSTEMATIC NAME: (4S,7S,10aS)-5-oxidanylidene-4-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
MOLECULAR FORMULA: C19H24N2O4S2
MOLECULAR WEIGHT: 408.53486
SMILES: C1C[C@H](N2[C@H](C1)SCC[C@@H](C2=O)NC(=O)[C@H](CC3=CC=CC=C3)S)C(=O)O
Structure:
CAS RN: 68906-88-7
CAS Name: (2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)-2-propanol; (2R)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)-2-propanol; dihydrochloride
OPENEYE Name: (2R)-1-(1H-inden-4-yloxy)-3-(isopropylamino)propan-2-ol; (2R)-1-(3H-inden-4-yloxy)-3-(isopropylamino)propan-2-ol; dihydrochloride
IUPAC Name: (2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol; (2R)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol; dihydrochloride
SYSTEMATIC NAME: (2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol; (2R)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol; dihydrochloride
MOLECULAR FORMULA: C30H44Cl2N2O4
MOLECULAR WEIGHT: 567.58736
SMILES: CC(C)NC[C@H](COC1=CC=CC2=C1CC=C2)O.CC(C)NC[C@H](COC1=CC=CC2=C1C=CC2)O.Cl.Cl
Structure:
CAS RN: 30286-75-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H26BrNO4
MOLECULAR WEIGHT: 412.31804
SMILES: CC[N+]1([C@@H]2CC(C[C@H]1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-]
Structure:
CAS RN: 4138-96-9
CAS Name: 3-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
OPENEYE Name: 3-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
IUPAC Name: 3-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
SYSTEMATIC NAME: 3-[(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
MOLECULAR FORMULA: C22H30O4
MOLECULAR WEIGHT: 358.4712
SMILES: C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CCC(=O)O)O)C
Structure:
CAS RN: 118712-89-3
CAS Name: (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid (2,3,5,6-tetrafluorophenyl)methyl ester
OPENEYE Name: (2,3,5,6-tetrafluorophenyl)methyl (1R,3S)-3-(2,2-dichlorovinyl)-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: (2,3,5,6-tetrafluorophenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [2,3,5,6-tetrakis(fluoranyl)phenyl]methyl (1R,3S)-3-[2,2-bis(chloranyl)ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C15H12Cl2F4O2
MOLECULAR WEIGHT: 371.154193
SMILES: CC1([C@@H]([C@H]1C(=O)OCC2=C(C(=CC(=C2F)F)F)F)C=C(Cl)Cl)C
Structure:
CAS RN: 411207-31-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24BrNO5S2
MOLECULAR WEIGHT: 490.43156
SMILES: C[N+]1([C@@H]2CC(C[C@H]1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.O.[Br-]
Structure:
CAS RN: 201677-75-0
CAS Name: (4S)-N-[(2S)-1-[(2S)-2-carbamoyl-1-pyrrolidinyl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide tetrahydrate
OPENEYE Name: (4S)-N-[(1S)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-1-methyl-2,6-dioxo-hexahydropyrimidine-4-carboxamide tetrahydrate
IUPAC Name: (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide tetrahydrate
SYSTEMATIC NAME: (4S)-N-[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-1-methyl-2,6-bis(oxidanylidene)-1,3-diazinane-4-carboxamide tetrahydrate
MOLECULAR FORMULA: C17H31N7O9
MOLECULAR WEIGHT: 477.46954
SMILES: CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N.O.O.O.O
Structure:
CAS RN: 65002-17-7
CAS Name: (2R)-3-mercapto-2-[(2-mercapto-2-methyl-1-oxopropyl)amino]propanoic acid
OPENEYE Name: (2R)-2-[(2-methyl-2-sulfanyl-propanoyl)amino]-3-sulfanyl-propanoic acid
IUPAC Name: (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-[(2-methyl-2-sulfanyl-propanoyl)amino]-3-sulfanyl-propanoic acid
MOLECULAR FORMULA: C7H13NO3S2
MOLECULAR WEIGHT: 223.31302
SMILES: CC(C)(C(=O)N[C@@H](CS)C(=O)O)S
Structure:
CAS RN: 59828-07-8
CAS Name: 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one hydrochloride
OPENEYE Name: 8-hydroxy-5-[1-hydroxy-2-(isopropylamino)butyl]-1H-quinolin-2-one hydrochloride
IUPAC Name: 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one hydrochloride
SYSTEMATIC NAME: 8-oxidanyl-5-[1-oxidanyl-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one hydrochloride
MOLECULAR FORMULA: C16H23ClN2O3
MOLECULAR WEIGHT: 326.81842
SMILES: CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C.Cl
Structure:
CAS RN: 130-40-5
CAS Name: sodium [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] hydrogen phosphate
OPENEYE Name: sodium [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] hydrogen phosphate
IUPAC Name: sodium [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate
SYSTEMATIC NAME: sodium [(2S,3R,4R)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
MOLECULAR FORMULA: C17H20N4NaO9P
MOLECULAR WEIGHT: 478.325631
SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](COP(=O)(O)[O-])O)O)O.[Na+]
Structure:
CAS RN: 219580-11-7
CAS Name: sodium [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] hydrogen phosphate
OPENEYE Name: sodium [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] hydrogen phosphate
IUPAC Name: sodium [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate
SYSTEMATIC NAME: sodium [(2S,3R,4R)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
MOLECULAR FORMULA: C17H20N4NaO9P
MOLECULAR WEIGHT: 478.325631
SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](COP(=O)(O)[O-])O)O)O.[Na+]
Structure:
CAS RN: 29025-14-7
CAS Name: (2S)-3-hydroxy-2-phenylpropanoic acid [(1S,5R)-8-[(4-butoxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester bromide
OPENEYE Name: [(1S,5R)-8-[(4-butoxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenyl-propanoate bromide
IUPAC Name: [(1S,5R)-8-[(4-butoxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate bromide
SYSTEMATIC NAME: [(1S,5R)-8-[(4-butoxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-oxidanyl-2-phenyl-propanoate bromide
MOLECULAR FORMULA: C28H38BrNO4
MOLECULAR WEIGHT: 532.50962
SMILES: CCCCOC1=CC=C(C=C1)C[N+]2([C@@H]3CC[C@H]2CC(C3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-]
Structure:
CAS RN: 1982-36-1
CAS Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane dihydrochloride
OPENEYE Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepane dihydrochloride
IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane dihydrochloride
SYSTEMATIC NAME: 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepane dihydrochloride
MOLECULAR FORMULA: C19H25Cl3N2
MOLECULAR WEIGHT: 387.7742
SMILES: CN1CCCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl
Structure:
CAS RN: 149-64-4
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MOLECULAR FORMULA: C21H30BrNO4
MOLECULAR WEIGHT: 440.3712
SMILES: CCCC[N+]1([C@@H]2CC(C[C@H]1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-]
Structure:
CAS RN: 23210-58-4
CAS Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 4-[1-hydroxy-2-[4-(phenylmethyl)-1-piperidinyl]propyl]phenol
OPENEYE Name: 4-[2-(4-benzyl-1-piperidyl)-1-hydroxy-propyl]phenol; (2R,3R)-2,3-dihydroxybutanedioic acid
IUPAC Name: 4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol; (2R,3R)-2,3-dihydroxybutanedioic acid
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; 4-[1-oxidanyl-2-[4-(phenylmethyl)piperidin-1-yl]propyl]phenol
MOLECULAR FORMULA: C46H60N2O10
MOLECULAR WEIGHT: 800.976
SMILES: CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3.CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 13647-35-3
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MOLECULAR FORMULA: C20H27NO3
MOLECULAR WEIGHT: 329.43328
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@]45[C@@]3(CC(=C([C@H]4O5)O)C#N)C
Structure:
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