CAS RN: 137015-76-0
CAS Name: (3S)-3-amino-4-[[(2S,5R,8S)-8-[[(1-aminocyclohexyl)-oxomethyl]amino]-3-hydroxy-5-[(3-methylbutylamino)-oxomethyl]-7-oxo-1,9-diphenyl-6-propan-2-ylnonan-2-yl]amino]-4-oxobutanoic acid hydrochloride
OPENEYE Name: (3S)-3-amino-4-[[(1S,4R,7S)-7-[(1-aminocyclohexanecarbonyl)amino]-1-benzyl-2-hydroxy-4-(isopentylcarbamoyl)-5-isopropyl-6-oxo-8-phenyl-octyl]amino]-4-oxo-butanoic acid hydrochloride
IUPAC Name: (3S)-3-amino-4-[[(2S,5R,8S)-8-[(1-aminocyclohexanecarbonyl)amino]-3-hydroxy-5-(3-methylbutylcarbamoyl)-7-oxo-1,9-diphenyl-6-propan-2-ylnonan-2-yl]amino]-4-oxobutanoic acid hydrochloride
SYSTEMATIC NAME: (3S)-3-azanyl-4-[[(2S,5R,8S)-8-[(1-azanylcyclohexyl)carbonylamino]-5-(3-methylbutylcarbamoyl)-3-oxidanyl-7-oxidanylidene-1,9-diphenyl-6-propan-2-yl-nonan-2-yl]amino]-4-oxidanylidene-butanoic acid hydrochloride
MOLECULAR FORMULA: C41H62ClN5O7
MOLECULAR WEIGHT: 772.41328
SMILES: CC(C)CCNC(=O)[C@H](CC([C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N)O)C(C(C)C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3(CCCCC3)N.Cl
Structure:
CAS RN: 136803-89-9
CAS Name: (4E)-5-amino-6-(7-amino-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-3-methyl-1H-pyridine-2-carboxylic acid
OPENEYE Name: (4E)-5-amino-6-(7-amino-6-methoxy-5,8-dioxo-2-quinolyl)-4-(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid
IUPAC Name: (4E)-5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid
SYSTEMATIC NAME: (4E)-5-azanyl-6-[7-azanyl-6-methoxy-5,8-bis(oxidanylidene)quinolin-2-yl]-4-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid
MOLECULAR FORMULA: C24H20N4O7
MOLECULAR WEIGHT: 476.4382
SMILES: CC\1=C(NC(=C(/C1=C/2\C=CC=C(C2=O)OC)N)C3=NC4=C(C=C3)C(=O)C(=C(C4=O)N)OC)C(=O)O
Structure:
CAS RN: 186691-13-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22NO4S2+
MOLECULAR WEIGHT: 392.51228
SMILES: C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C
Structure:
CAS RN: 136310-93-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22BrNO4S2
MOLECULAR WEIGHT: 472.41628
SMILES: C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-]
Structure:
CAS RN: 135788-75-9
CAS Name: 2-methyl-2-[[2-methyl-2-[[(2S)-2-[[(2S,3S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]propanoic acid methyl ester
OPENEYE Name: methyl 2-[[2-[[(2S)-2-[[(2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoate
IUPAC Name: methyl 2-methyl-2-[[2-methyl-2-[[(2S)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoyl]amino]propanoyl]amino]propanoate
SYSTEMATIC NAME: methyl 2-methyl-2-[[2-methyl-2-[[(2S)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoyl]amino]propanoyl]amino]propanoate
MOLECULAR FORMULA: C26H40N4O7
MOLECULAR WEIGHT: 520.6184
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)OC)NC(=O)OCC1=CC=CC=C1
Structure:
CAS RN: 135704-06-2
CAS Name: (2S)-N-[(2S)-3-(2-amino-4-thiazolyl)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxopropyl]-2-(4-morpholinylsulfonylamino)-3-phenylpropanamide
OPENEYE Name: (2S)-N-[(2S)-3-(2-aminothiazol-4-yl)-2-[[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]amino]propanoyl]-2-(morpholinosulfonylamino)-3-phenyl-propanamide
IUPAC Name: (2S)-N-[(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]propanoyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide
SYSTEMATIC NAME: (2S)-N-[(2S)-3-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S,3R,4S)-1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]propanoyl]-2-(morpholin-4-ylsulfonylamino)-3-phenyl-propanamide
MOLECULAR FORMULA: C33H52N6O7S2
MOLECULAR WEIGHT: 708.93198
SMILES: CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)N[C@@H](CC2=CSC(=N2)N)C(=O)NC(=O)[C@H](CC3=CC=CC=C3)NS(=O)(=O)N4CCOCC4)O)O
Structure:
CAS RN: 135561-94-3
CAS Name: 1-[4-(3,5-dimethyl-1-pyrazolyl)-5H-pyridazino[4,5-b]indol-1-yl]-2-methylhydrazine
OPENEYE Name: 1-[4-(3,5-dimethylpyrazol-1-yl)-5H-pyridazino[4,5-b]indol-1-yl]-2-methyl-hydrazine
IUPAC Name: 1-[4-(3,5-dimethylpyrazol-1-yl)-5H-pyridazino[4,5-b]indol-1-yl]-2-methylhydrazine
SYSTEMATIC NAME: 1-[4-(3,5-dimethylpyrazol-1-yl)-5H-pyridazino[4,5-b]indol-1-yl]-2-methyl-diazane
MOLECULAR FORMULA: C16H17N7
MOLECULAR WEIGHT: 307.35308
SMILES: CC1=CC(=NN1C2=NN=C(C3=C2NC4=CC=CC=C43)NNC)C
Structure:
CAS RN: 135133-84-5
CAS Name: 2-[(2R,3S)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]butan-2-yl]oxyacetic acid
OPENEYE Name: 2-[(1R,2S)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-methyl-propoxy]acetic acid
IUPAC Name: 2-[(2R,3S)-3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylbutan-2-yl]oxyacetic acid
SYSTEMATIC NAME: 2-[(2R,3S)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylbutan-2-yl]oxyethanoic acid
MOLECULAR FORMULA: C20H32O4S
MOLECULAR WEIGHT: 368.53068
SMILES: C[C@H]([C@H](C)SC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)OCC(=O)O
Structure:
CAS RN: 137803-61-3
CAS Name: 2-[(2R,3S)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]butan-2-yl]oxyacetic acid
OPENEYE Name: 2-[(1R,2S)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-methyl-propoxy]acetic acid
IUPAC Name: 2-[(2R,3S)-3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylbutan-2-yl]oxyacetic acid
SYSTEMATIC NAME: 2-[(2R,3S)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylbutan-2-yl]oxyethanoic acid
MOLECULAR FORMULA: C20H32O4S
MOLECULAR WEIGHT: 368.53068
SMILES: C[C@H]([C@H](C)SC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)OCC(=O)O
Structure:
CAS RN: 135101-74-5
CAS Name: 2-(7-hydroxy-4-oxo-1-benzopyran-3-yl)-3,3-bis(4-hydroxyphenyl)propanoic acid
OPENEYE Name: 2-(7-hydroxy-4-oxo-chromen-3-yl)-3,3-bis(4-hydroxyphenyl)propanoic acid
IUPAC Name: 2-(7-hydroxy-4-oxochromen-3-yl)-3,3-bis(4-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: 3,3-bis(4-hydroxyphenyl)-2-(7-oxidanyl-4-oxidanylidene-chromen-3-yl)propanoic acid
MOLECULAR FORMULA: C24H18O7
MOLECULAR WEIGHT: 418.39552
SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)O)C(C3=COC4=C(C3=O)C=CC(=C4)O)C(=O)O)O
Structure:
CAS RN: 134452-04-3
CAS Name: (2R)-2-[[(2S,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-[[(2S)-2-(4-morpholinylsulfonylamino)-1-oxo-3-phenylpropyl]amino]-3-oxopropanoic acid methyl ester
OPENEYE Name: methyl (2R)-2-[[(1S,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]amino]-3-[[(2S)-2-(morpholinosulfonylamino)-3-phenyl-propanoyl]amino]-3-oxo-propanoate
IUPAC Name: methyl (2R)-2-[[(2S,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]-3-oxopropanoate
SYSTEMATIC NAME: methyl (2R)-2-[[(2S,4S)-1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]-3-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenyl-propanoyl]amino]-3-oxidanylidene-propanoate
MOLECULAR FORMULA: C31H50N4O9S
MOLECULAR WEIGHT: 654.8151
SMILES: CC(C)C[C@@H](C([C@H](CC1CCCCC1)N[C@H](C(=O)NC(=O)[C@H](CC2=CC=CC=C2)NS(=O)(=O)N3CCOCC3)C(=O)OC)O)O
Structure:
CAS RN: 134439-73-9
CAS Name: (2S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-h
OPENEYE Name: (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-o
IUPAC Name: (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amin
MOLECULAR FORMULA: C41H60N10O10S
MOLECULAR WEIGHT: 885.0411
SMILES: C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CN
Structure:
CAS RN: 134346-48-8
CAS Name: 7-[4-[4-(cyclohexylmethyl)-1-piperazinyl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
OPENEYE Name: 7-[4-[4-(cyclohexylmethyl)piperazin-1-yl]-4-oxo-butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
IUPAC Name: 7-[4-[4-(cyclohexylmethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SYSTEMATIC NAME: 7-[4-[4-(cyclohexylmethyl)piperazin-1-yl]-4-oxidanylidene-butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
MOLECULAR FORMULA: C25H33N5O3
MOLECULAR WEIGHT: 451.56122
SMILES: C1CCC(CC1)CN2CCN(CC2)C(=O)CCCOC3=CC4=CC5=C(NC(=O)N5)N=C4C=C3
Structure:
CAS RN: 77459-78-0
CAS Name: (3Z)-3-[hydroxy-[(5-hydroxy-2-pyridinyl)amino]methylidene]-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-one
OPENEYE Name: (3Z)-3-[hydroxy-[(5-hydroxy-2-pyridyl)amino]methylene]-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-one
IUPAC Name: (3Z)-3-[hydroxy-[(5-hydroxypyridin-2-yl)amino]methylidene]-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-one
SYSTEMATIC NAME: (3Z)-2-methyl-1,1-bis(oxidanylidene)-3-[oxidanyl-[(5-oxidanylpyridin-2-yl)amino]methylidene]-1$l^{6},2-benzothiazin-4-one
MOLECULAR FORMULA: C15H13N3O5S
MOLECULAR WEIGHT: 347.34582
SMILES: CN1/C(=C(/NC2=NC=C(C=C2)O)\O)/C(=O)C3=CC=CC=C3S1(=O)=O
Structure:
CAS RN: 77363-65-6
CAS Name: (2S,3S,4S,5R,6S)-6-[[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-3-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[5,7-bis(oxidanyl)-4-oxidanylidene-2-[3,4,5-tris(oxidanyl)phenyl]chromen-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C21H18O14
MOLECULAR WEIGHT: 494.35922
SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
Structure:
CAS RN: 133989-59-0
CAS Name: N-(3-butyl-2-methyl-4-nitrophenyl)carbamate
OPENEYE Name: N-(3-butyl-2-methyl-4-nitro-phenyl)carbamate
IUPAC Name: N-(3-butyl-2-methyl-4-nitrophenyl)carbamate
SYSTEMATIC NAME: N-(3-butyl-2-methyl-4-nitro-phenyl)carbamate
MOLECULAR FORMULA: C12H15N2O4-
MOLECULAR WEIGHT: 251.2585
SMILES: CCCCC1=C(C=CC(=C1C)NC(=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 133865-89-1
CAS Name: (2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
OPENEYE Name: (2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
IUPAC Name: (2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
SYSTEMATIC NAME: (2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
MOLECULAR FORMULA: C17H19FN2O2
MOLECULAR WEIGHT: 302.343363
SMILES: C[C@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F
Structure:
CAS RN: 133805-03-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H11N3O4
MOLECULAR WEIGHT: 357.31904
SMILES: C1CC2=C3C4=C(N=CC4=C5C6=CC(=O)CC(=O)C6=NC5=C3NC2=CC1=O)O
Structure:
CAS RN: 133293-89-7
CAS Name: 5,7-diacetyl-6-(5-carboxy-6,7-dihydroxy-4-oxo-1-benzopyran-3-yl)-2,3-dihydroxy-9-oxo-1-xanthenecarboxylic acid
OPENEYE Name: 5,7-diacetyl-6-(5-carboxy-6,7-dihydroxy-4-oxo-chromen-3-yl)-2,3-dihydroxy-9-oxo-xanthene-1-carboxylic acid
IUPAC Name: 5,7-diacetyl-6-(5-carboxy-6,7-dihydroxy-4-oxochromen-3-yl)-2,3-dihydroxy-9-oxoxanthene-1-carboxylic acid
SYSTEMATIC NAME: 6-[5-carboxy-6,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]-5,7-diethanoyl-2,3-bis(oxidanyl)-9-oxidanylidene-xanthene-1-carboxylic acid
MOLECULAR FORMULA: C28H16O14
MOLECULAR WEIGHT: 576.41824
SMILES: CC(=O)C1=C(C(=C2C(=C1)C(=O)C3=C(C(=C(C=C3O2)O)O)C(=O)O)C(=O)C)C4=COC5=CC(=C(C(=C5C4=O)C(=O)O)O)O
Structure:
CAS RN: 132979-67-0
CAS Name: 2-[[(2R)-3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-[(2S)-2-[bis(carboxymethyl)amino]propyl]amino]acetic acid tetrahydrochloride
OPENEYE Name: 2-[[(2R)-3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-[(2S)-2-[bis(carboxymethyl)amino]propyl]amino]acetic acid tetrahydrochloride
IUPAC Name: 2-[[(2R)-3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-[(2S)-2-[bis(carboxymethyl)amino]propyl]amino]acetic acid tetrahydrochloride
SYSTEMATIC NAME: 2-[[(2R)-3-(4-aminophenyl)-2-[bis(2-hydroxy-2-oxoethyl)amino]propyl]-[(2S)-2-[bis(2-hydroxy-2-oxoethyl)amino]propyl]amino]ethanoic acid tetrahydrochloride
MOLECULAR FORMULA: C22H36Cl4N4O10
MOLECULAR WEIGHT: 658.35404
SMILES: C[C@@H](CN(C[C@@H](CC1=CC=C(C=C1)N)N(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.Cl.Cl.Cl.Cl
Structure:
CAS RN: 132958-69-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H25OS+
MOLECULAR WEIGHT: 301.4662
SMILES: C=CC[S+]1CCC23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
Structure:
CAS RN: 132587-59-8
CAS Name: 7-hydroxy-3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-5-methoxy-1-benzopyran-4-one
OPENEYE Name: 7-hydroxy-3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-5-methoxy-chromen-4-one
IUPAC Name: 7-hydroxy-3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-5-methoxychromen-4-one
SYSTEMATIC NAME: 5-methoxy-3-[4-methoxy-3-(3-methylbut-2-enyl)-5-oxidanyl-phenyl]-7-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C22H22O6
MOLECULAR WEIGHT: 382.40648
SMILES: CC(=CCC1=C(C(=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)OC)O)O)OC)C
Structure:
CAS RN: 132225-86-6
CAS Name: 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
OPENEYE Name: 6-(4-pyridyl)-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
IUPAC Name: 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SYSTEMATIC NAME: 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
MOLECULAR FORMULA: C12H7F3N4O
MOLECULAR WEIGHT: 280.20539
SMILES: C1=CN=CC=C1C2=CC3=C(NC(=O)N3)N=C2C(F)(F)F
Structure:
CAS RN: 132151-86-1
CAS Name: (3Z)-3-[1-(methoxyamino)ethylidene]-6,6-dimethyloxane-2,4-dione
OPENEYE Name: (3Z)-3-[1-(methoxyamino)ethylidene]-6,6-dimethyl-tetrahydropyran-2,4-dione
IUPAC Name: (3Z)-3-[1-(methoxyamino)ethylidene]-6,6-dimethyloxane-2,4-dione
SYSTEMATIC NAME: (3Z)-3-[1-(methoxyamino)ethylidene]-6,6-dimethyl-oxane-2,4-dione
MOLECULAR FORMULA: C10H15NO4
MOLECULAR WEIGHT: 213.2304
SMILES: C/C(=C/1\C(=O)CC(OC1=O)(C)C)/NOC
Structure:
CAS RN: 132151-81-6
CAS Name: acetic acid [2-acetyloxy-4-[5,7-dihydroxy-4-oxo-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-2-yl]phenyl] ester
OPENEYE Name: [2-acetoxy-4-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-2-yl]phenyl] acetate
IUPAC Name: [2-acetyloxy-4-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-yl]phenyl] acetate
SYSTEMATIC NAME: [2-acetyloxy-4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]phenyl] ethanoate
MOLECULAR FORMULA: C31H34O18
MOLECULAR WEIGHT: 694.59086
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)OC(=O)C)OC(=O)C)O)O)O)O)O)O
Structure:
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