CAS RN: 126753-62-6
CAS Name: 2-[6-[[4-[(2-bromo-1-oxoethyl)amino]phenyl]methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
OPENEYE Name: 2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
IUPAC Name: 2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
SYSTEMATIC NAME: 2-[6-[[4-(2-bromanylethanoylamino)phenyl]methyl]-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid
MOLECULAR FORMULA: C25H36BrN5O9
MOLECULAR WEIGHT: 630.48544
SMILES: C1CN(CCN(C(CN(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)NC(=O)CBr)CC(=O)O)CC(=O)O
Structure:
CAS RN: 126655-24-1
CAS Name: 5-[11-hydroxy-11-[5-(1-hydroxytridecyl)-2-oxolanyl]-5-oxoundecyl]-3-(2-oxopropyl)-2-oxolanone
OPENEYE Name: 3-acetonyl-5-[11-hydroxy-11-[5-(1-hydroxytridecyl)tetrahydrofuran-2-yl]-5-oxo-undecyl]tetrahydrofuran-2-one
IUPAC Name: 5-[11-hydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one
SYSTEMATIC NAME: 3-(2-oxidanylidenepropyl)-5-[11-oxidanyl-5-oxidanylidene-11-[5-(1-oxidanyltridecyl)oxolan-2-yl]undecyl]oxolan-2-one
MOLECULAR FORMULA: C35H62O7
MOLECULAR WEIGHT: 594.86258
SMILES: CCCCCCCCCCCCC(C1CCC(O1)C(CCCCCC(=O)CCCCC2CC(C(=O)O2)CC(=O)C)O)O
Structure:
CAS RN: 126618-47-1
CAS Name: (4-formylphenyl)methyl-triphenylphosphonium chloride
OPENEYE Name: (4-formylphenyl)methyl-triphenyl-phosphonium chloride
IUPAC Name: (4-formylphenyl)methyl-triphenylphosphanium chloride
SYSTEMATIC NAME: (4-methanoylphenyl)methyl-triphenyl-phosphanium chloride
MOLECULAR FORMULA: C26H22ClOP
MOLECULAR WEIGHT: 416.879041
SMILES: C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C=O)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
Structure:
CAS RN: 126612-52-0
CAS Name: 2-(diaminomethylideneamino)-N-(5-fluoro-1,3-benzothiazol-2-yl)-4-thiazolecarboxamide
OPENEYE Name: N-(5-fluoro-1,3-benzothiazol-2-yl)-2-guanidino-thiazole-4-carboxamide
IUPAC Name: 2-(diaminomethylideneamino)-N-(5-fluoro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: 2-[bis(azanyl)methylideneamino]-N-(5-fluoranyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C12H9FN6OS2
MOLECULAR WEIGHT: 336.367863
SMILES: C1=CC2=C(C=C1F)N=C(S2)NC(=O)C3=CSC(=N3)N=C(N)N
Structure:
CAS RN: 126565-13-7
CAS Name: 7-[2-[difluoro-(2,3,4-trifluorophenyl)methoxy]ethyl]-1,3-bis[difluoro-(2,3,4-trifluorophenyl)methyl]purine-2,6-dione
OPENEYE Name: 7-[2-[difluoro-(2,3,4-trifluorophenyl)methoxy]ethyl]-1,3-bis[difluoro-(2,3,4-trifluorophenyl)methyl]purine-2,6-dione
IUPAC Name: 7-[2-[difluoro-(2,3,4-trifluorophenyl)methoxy]ethyl]-1,3-bis[difluoro-(2,3,4-trifluorophenyl)methyl]purine-2,6-dione
SYSTEMATIC NAME: 7-[2-[bis(fluoranyl)-[2,3,4-tris(fluoranyl)phenyl]methoxy]ethyl]-1,3-bis[bis(fluoranyl)-[2,3,4-tris(fluoranyl)phenyl]methyl]purine-2,6-dione
MOLECULAR FORMULA: C28H11F15N4O3
MOLECULAR WEIGHT: 736.387988
SMILES: C1=CC(=C(C(=C1C(N2C3=C(C(=O)N(C2=O)C(C4=C(C(=C(C=C4)F)F)F)(F)F)N(C=N3)CCOC(C5=C(C(=C(C=C5)F)F)F)(F)F)(F)F)F)F)F
Structure:
CAS RN: 126543-43-9
CAS Name: (2R)-2-acetamido-3-(2,2-dichloroethenylthio)propanoic acid
OPENEYE Name: (2R)-2-acetamido-3-(2,2-dichlorovinylsulfanyl)propanoic acid
IUPAC Name: (2R)-2-acetamido-3-(2,2-dichloroethenylsulfanyl)propanoic acid
SYSTEMATIC NAME: (2R)-2-acetamido-3-[2,2-bis(chloranyl)ethenylsulfanyl]propanoic acid
MOLECULAR FORMULA: C7H9Cl2NO3S
MOLECULAR WEIGHT: 258.12226
SMILES: CC(=O)N[C@@H](CSC=C(Cl)Cl)C(=O)O
Structure:
CAS RN: 126518-76-1
CAS Name: benzoic acid [(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] ester
OPENEYE Name: [(1R)-1-methoxycarbonyl-2-methyl-propyl] benzoate
IUPAC Name: [(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] benzoate
SYSTEMATIC NAME: [(2R)-1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl] benzoate
MOLECULAR FORMULA: C13H16O4
MOLECULAR WEIGHT: 236.26374
SMILES: CC(C)[C@H](C(=O)OC)OC(=O)C1=CC=CC=C1
Structure:
CAS RN: 126513-90-4
CAS Name: 2-[[2,7,12,13-tetrahydroxy-1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]ethanesulfonic acid
OPENEYE Name: 2-[(3-hexadecanoyloxy-2,7,12,13-tetrahydroxy-octadecanoyl)amino]ethanesulfonic acid
IUPAC Name: 2-[(3-hexadecanoyloxy-2,7,12,13-tetrahydroxyoctadecanoyl)amino]ethanesulfonic acid
SYSTEMATIC NAME: 2-[[3-hexadecanoyloxy-2,7,12,13-tetrakis(oxidanyl)octadecanoyl]amino]ethanesulfonic acid
MOLECULAR FORMULA: C36H71NO10S
MOLECULAR WEIGHT: 710.01464
SMILES: CCCCCCCCCCCCCCCC(=O)OC(CCCC(CCCCC(C(CCCCC)O)O)O)C(C(=O)NCCS(=O)(=O)O)O
Structure:
CAS RN: 126444-11-9
CAS Name: 4-(2,3-dihydro-1,4-dioxin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis[(5-ethyl-2-pyridinyl)methyl] ester
OPENEYE Name: bis[(5-ethyl-2-pyridyl)methyl] 4-(2,3-dihydro-1,4-dioxin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: bis[(5-ethylpyridin-2-yl)methyl] 4-(2,3-dihydro-1,4-dioxin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: bis[(5-ethylpyridin-2-yl)methyl] 4-(2,3-dihydro-1,4-dioxin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C29H33N3O6
MOLECULAR WEIGHT: 519.58882
SMILES: CCC1=CN=C(C=C1)COC(=O)C2=C(NC(=C(C2C3=COCCO3)C(=O)OCC4=NC=C(C=C4)CC)C)C
Structure:
CAS RN: 126372-87-0
CAS Name: (2-acetyloxy-3-docosoxypropyl) 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: (2-acetoxy-3-docosoxy-propyl) 2-(trimethylammonio)ethyl phosphate
IUPAC Name: (2-acetyloxy-3-docosoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: (2-acetyloxy-3-docosoxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C32H66NO7P
MOLECULAR WEIGHT: 607.842701
SMILES: CCCCCCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C
Structure:
CAS RN: 144689-63-4
CAS Name: 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-imidazolecarboxylic acid (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester
OPENEYE Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(1-hydroxy-1-methyl-ethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
IUPAC Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
SYSTEMATIC NAME: (5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl 5-(2-oxidanylpropan-2-yl)-2-propyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
MOLECULAR FORMULA: C29H30N6O6
MOLECULAR WEIGHT: 558.5851
SMILES: CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O
Structure:
CAS RN: 126370-66-9
CAS Name: (7S,12aR)-2-methyl-5,5-dioxo-7-(phenylmethyl)-3,4,6,7,10,11,12,12a-octahydropyrrolo[1,2-e][1,2,5,8]thiatriazecine-1,8-dione
OPENEYE Name: (7S,12aR)-7-benzyl-2-methyl-5,5-dioxo-3,4,6,7,10,11,12,12a-octahydropyrrolo[1,2-e][1,2,5,8]thiatriazecine-1,8-dione
IUPAC Name: (7S,12aR)-7-benzyl-2-methyl-5,5-dioxo-3,4,6,7,10,11,12,12a-octahydropyrrolo[1,2-e][1,2,5,8]thiatriazecine-1,8-dione
SYSTEMATIC NAME: (7S,12aR)-2-methyl-5,5-bis(oxidanylidene)-7-(phenylmethyl)-3,4,6,7,10,11,12,12a-octahydropyrrolo[1,2-e][1,2,5,8]thiatriazecine-1,8-dione
MOLECULAR FORMULA: C17H23N3O4S
MOLECULAR WEIGHT: 365.44722
SMILES: CN1CCS(=O)(=O)N[C@H](C(=O)N2CCC[C@@H]2C1=O)CC3=CC=CC=C3
Structure:
CAS RN: 126291-46-1
CAS Name: (3S,5S,8R,9S,10S,13R,14S,15S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol
OPENEYE Name: (3S,5S,8R,9S,10S,13R,14S,15S,17R)-10,13-dimethyl-17-[(1R,4S)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol
IUPAC Name: (3S,5S,8R,9S,10S,13R,14S,15S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol
SYSTEMATIC NAME: (3S,5S,8R,9S,10S,13R,14S,15S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol
MOLECULAR FORMULA: C28H50O2
MOLECULAR WEIGHT: 418.6954
SMILES: C[C@H](CC[C@H](C)C(C)C)[C@H]1C[C@@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O
Structure:
CAS RN: 126266-02-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H23N3O4
MOLECULAR WEIGHT: 405.44642
SMILES: CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)N)OC
Structure:
CAS RN: 126259-82-3
CAS Name: 1-(1,3-dihydroxy-2-methylpropoxy)-5,6,7,8-tetrahydroquinazoline-2,4-dione
OPENEYE Name: 1-(1,3-dihydroxy-2-methyl-propoxy)-5,6,7,8-tetrahydroquinazoline-2,4-dione
IUPAC Name: 1-(1,3-dihydroxy-2-methylpropoxy)-5,6,7,8-tetrahydroquinazoline-2,4-dione
SYSTEMATIC NAME: 1-[2-methyl-1,3-bis(oxidanyl)propoxy]-5,6,7,8-tetrahydroquinazoline-2,4-dione
MOLECULAR FORMULA: C12H18N2O5
MOLECULAR WEIGHT: 270.28172
SMILES: CC(CO)C(O)ON1C2=C(CCCC2)C(=O)NC1=O
Structure:
CAS RN: 126247-65-2
CAS Name: N-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxy-3,5-dihydroxy-6-methyl-4-oxanyl]acetamide
OPENEYE Name: N-[(2S,3R,4S,5S,6R)-2-[(1R,2S,3R)-1-[(1R)-1-acetamido-2-oxo-ethyl]-2,3,4-trihydroxy-butoxy]-3,5-dihydroxy-6-methyl-tetrahydropyran-4-yl]acetamide
IUPAC Name: N-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide
SYSTEMATIC NAME: N-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-2-acetamido-4,5,6-tris(oxidanyl)-1-oxidanylidene-hexan-3-yl]oxy-6-methyl-3,5-bis(oxidanyl)oxan-4-yl]ethanamide
MOLECULAR FORMULA: C16H28N2O10
MOLECULAR WEIGHT: 408.40092
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@H](C=O)NC(=O)C)[C@H]([C@@H](CO)O)O)O)NC(=O)C)O
Structure:
CAS RN: 126247-74-3
CAS Name: [(3S,4R,5R)-1,4,5,6-tetrahydroxy-2-oxohexan-3-yl] dihydrogen phosphate
OPENEYE Name: [(1S,2R,3R)-2,3,4-trihydroxy-1-(2-hydroxyacetyl)butyl] dihydrogen phosphate
IUPAC Name: [(3S,4R,5R)-1,4,5,6-tetrahydroxy-2-oxohexan-3-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(3S,4R,5R)-1,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexan-3-yl] dihydrogen phosphate
MOLECULAR FORMULA: C6H13O9P
MOLECULAR WEIGHT: 260.135781
SMILES: C([C@H]([C@H]([C@@H](C(=O)CO)OP(=O)(O)O)O)O)O
Structure:
CAS RN: 126235-53-8
CAS Name: N-[dimethyl(prop-2-enyl)silyl]-N-phenylaniline
OPENEYE Name: N-[allyl(dimethyl)silyl]-N-phenyl-aniline
IUPAC Name: N-[dimethyl(prop-2-enyl)silyl]-N-phenylaniline
SYSTEMATIC NAME: N-[dimethyl(prop-2-enyl)silyl]-N-phenyl-aniline
MOLECULAR FORMULA: C17H21NSi
MOLECULAR WEIGHT: 267.44084
SMILES: C[Si](C)(CC=C)N(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 126233-79-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H13N3O
MOLECULAR WEIGHT: 203.24042
SMILES: CC1CN2C3=C(CN1)C=CC=C3NC2=O
Structure:
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