CAS RN: 130342-80-2
CAS Name: (5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester
OPENEYE Name: methyl (5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
IUPAC Name: methyl (5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
SYSTEMATIC NAME: methyl (5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
MOLECULAR FORMULA: C16H20ClNO2
MOLECULAR WEIGHT: 293.7885
SMILES: CN1[C@@H]2CCC1CC(C2C(=O)OC)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 130333-59-4
CAS Name: (2S)-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-2-acetamido-1-oxohexyl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxop
OPENEYE Name: (2S)-N-[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-2-[[2-[[(2S)-2-acetamidohexanoyl]amino]-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-(4H-imidazol-4-ylmethyl)-2-oxo-ethyl]-2-(4-hydroxyanil
IUPAC Name: (2S)-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-2-acetamidohexanoyl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxoprop
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-2-acetamidohexanoyl]amino]-2-oxidanylidene-ethyl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-p
MOLECULAR FORMULA: C53H69N15O10
MOLECULAR WEIGHT: 1076.20946
SMILES: CCCC[C@@H](C(=O)NC(=O)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4C=NC=N4)NC(=O)[C@H](CCC(=O)N)NC5=CC=C(C=C5)O)NC(=O)C
Structure:
CAS RN: 130327-70-7
CAS Name: (2S)-2-[[[4-[[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]amino]methyl]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]amino]methyl]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[[[(6R)-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]amino]methyl]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H24N6O6
MOLECULAR WEIGHT: 444.44116
SMILES: C1[C@H](CNC2=C1C(=O)N=C(N2)N)NCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 130327-67-2
CAS Name: (2S)-2-[[[4-[[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[[(2-azanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H20N6O6
MOLECULAR WEIGHT: 440.4094
SMILES: C1=CC(=CC=C1CNC2=CN=C3C(=C2)C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 130304-62-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H30O5
MOLECULAR WEIGHT: 386.4813
SMILES: CC(C)CC(=O)C1=C2C(=C(C(=C1O)C=O)O)C[C@@H]3C[C@@H]4CC([C@@]3(O2)C)C4(C)C
Structure:
CAS RN: 130288-57-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H30O5
MOLECULAR WEIGHT: 386.4813
SMILES: CC(C)CC(=O)C1=C(C(=C2C(=C1O)C[C@@H]3C[C@@H]4C[C@H]([C@@]3(O2)C)C4(C)C)C=O)O
Structure:
CAS RN: 130203-65-5
CAS Name: tributyl(4-pyrenylmethyl)phosphonium bromide
OPENEYE Name: tributyl(pyren-4-ylmethyl)phosphonium bromide
IUPAC Name: tributyl(pyren-4-ylmethyl)phosphanium bromide
SYSTEMATIC NAME: tributyl(pyren-4-ylmethyl)phosphanium bromide
MOLECULAR FORMULA: C29H38BrP
MOLECULAR WEIGHT: 497.489781
SMILES: CCCC[P+](CCCC)(CCCC)CC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3.[Br-]
Structure:
CAS RN: 130203-74-6
CAS Name: 2,2-bis(4-chlorophenyl)-N-(2-hydroxybutyl)acetamide
OPENEYE Name: 2,2-bis(4-chlorophenyl)-N-(2-hydroxybutyl)acetamide
IUPAC Name: 2,2-bis(4-chlorophenyl)-N-(2-hydroxybutyl)acetamide
SYSTEMATIC NAME: 2,2-bis(4-chlorophenyl)-N-(2-oxidanylbutyl)ethanamide
MOLECULAR FORMULA: C18H19Cl2NO2
MOLECULAR WEIGHT: 352.25496
SMILES: CCC(CNC(=O)C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)O
Structure:
CAS RN: 130194-90-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H17N3O4
MOLECULAR WEIGHT: 363.36668
SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC=C(C5=C4)N)O
Structure:
CAS RN: 130186-26-4
CAS Name: (4R,5S)-2-(4-chlorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole hydrochloride
OPENEYE Name: (4R,5S)-2-(4-chlorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole hydrochloride
IUPAC Name: (4R,5S)-2-(4-chlorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole hydrochloride
SYSTEMATIC NAME: (4R,5S)-2-(4-chlorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole hydrochloride
MOLECULAR FORMULA: C21H18Cl2N2
MOLECULAR WEIGHT: 369.28702
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](N=C(N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4.Cl
Structure:
CAS RN: 130170-10-4
CAS Name: (2S)-6-amino-2-[[(2S)-3-hydroxy-2-[[(2S)-3-hydroxy-1-oxo-2-[[1-oxo-2-(1-oxododecylamino)ethyl]amino]propyl]amino]-1-oxopropyl]amino]hexanoic acid
OPENEYE Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-(dodecanoylamino)acetyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoic acid
IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-(dodecanoylamino)acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[2-(dodecanoylamino)ethanoylamino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoic acid
MOLECULAR FORMULA: C26H49N5O8
MOLECULAR WEIGHT: 559.69596
SMILES: CCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O
Structure:
CAS RN: 130168-12-6
CAS Name: 2,4-dimethoxy-3-trimethylstannylbenzoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 2,4-dimethoxy-3-trimethylstannyl-benzoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2,4-dimethoxy-3-trimethylstannylbenzoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 2,4-dimethoxy-3-trimethylstannyl-benzoate
MOLECULAR FORMULA: C16H21NO6Sn
MOLECULAR WEIGHT: 442.05104
SMILES: COC1=C(C(=C(C=C1)C(=O)ON2C(=O)CCC2=O)OC)[Sn](C)(C)C
Structure:
CAS RN: 130100-20-8
CAS Name: 2-[5-[2-(acetyloxymethoxy)-2-oxoethoxy]-6-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-2-benzofuranyl]-5-oxazolecarboxylic acid acetyloxymethyl ester
OPENEYE Name: acetoxymethyl 2-[5-[2-(acetoxymethoxy)-2-oxo-ethoxy]-6-[bis[2-(acetoxymethoxy)-2-oxo-ethyl]amino]benzofuran-2-yl]oxazole-5-carboxylate
IUPAC Name: acetyloxymethyl 2-[5-[2-(acetyloxymethoxy)-2-oxoethoxy]-6-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylate
SYSTEMATIC NAME: acetyloxymethyl 2-[5-[2-(acetyloxymethoxy)-2-oxidanylidene-ethoxy]-6-[bis[2-(acetyloxymethoxy)-2-oxidanylidene-ethyl]amino]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylate
MOLECULAR FORMULA: C30H30N2O19
MOLECULAR WEIGHT: 722.5612
SMILES: CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)C1=C(C=C2C=C(OC2=C1)C3=NC=C(O3)C(=O)OCOC(=O)C)OCC(=O)OCOC(=O)C
Structure:
CAS RN: 130082-42-7
CAS Name: 3-[4-(1-imidazolyl)phenyl]-5-phenyl-4,5-dihydro-1H-pyridazin-6-one
OPENEYE Name: 3-(4-imidazol-1-ylphenyl)-5-phenyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC Name: 3-(4-imidazol-1-ylphenyl)-5-phenyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: 3-(4-imidazol-1-ylphenyl)-5-phenyl-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C19H16N4O
MOLECULAR WEIGHT: 316.35654
SMILES: C1C(C(=O)NN=C1C2=CC=C(C=C2)N3C=CN=C3)C4=CC=CC=C4
Structure:
CAS RN: 130064-33-4
CAS Name: 3-phenyl-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2H-1-benzopyran-7-ol
OPENEYE Name: 3-phenyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-2H-chromen-7-ol
IUPAC Name: 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol
SYSTEMATIC NAME: 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol
MOLECULAR FORMULA: C28H29NO3
MOLECULAR WEIGHT: 427.53476
SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(=CC4=C(O3)C=C(C=C4)O)C5=CC=CC=C5
Structure:
CAS RN: 14016-29-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H16O7
MOLECULAR WEIGHT: 368.33684
SMILES: CC12CCCC(O1)C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C=C(C=C5C4=O)O)O
Structure:
CAS RN: 8065-16-5
CAS Name: (6R,7S)-7-amino-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7S)-7-amino-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7S)-7-amino-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7S)-7-azanyl-3-chloranyl-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C8H9ClN2O3
MOLECULAR WEIGHT: 216.62166
SMILES: C1CC(=C(N2[C@H]1[C@@H](C2=O)N)C(=O)O)Cl
Structure:
CAS RN: 76470-87-6
CAS Name: N-cyclohexyl-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
OPENEYE Name: N-cyclohexyl-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
IUPAC Name: N-cyclohexyl-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
SYSTEMATIC NAME: N-cyclohexyl-N-(2-hydroxyethyl)-4-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
MOLECULAR FORMULA: C21H30N2O4
MOLECULAR WEIGHT: 374.4739
SMILES: C1CCC(CC1)N(CCO)C(=O)CCCOC2=CC3=C(C=C2)NC(=O)CC3
Structure:
CAS RN: 80484-55-5
CAS Name: 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-1-propanone
OPENEYE Name: 1-(2,4-dihydroxy-6-methoxy-3,5-dimethyl-phenyl)-3-phenyl-propan-1-one
IUPAC Name: 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylpropan-1-one
SYSTEMATIC NAME: 1-[2-methoxy-3,5-dimethyl-4,6-bis(oxidanyl)phenyl]-3-phenyl-propan-1-one
MOLECULAR FORMULA: C18H20O4
MOLECULAR WEIGHT: 300.349
SMILES: CC1=C(C(=C(C(=C1O)C(=O)CCC2=CC=CC=C2)OC)C)O
Structure:
CAS RN: 80433-90-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H2Cl8O
MOLECULAR WEIGHT: 421.74628
SMILES: C12C(=O)C3(C4C1(C5(C2(C3(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 80433-85-8
CAS Name: 2-(1-heptyl-1-azepan-1-iumyl)acetic acid decyl ester hydroxide
OPENEYE Name: decyl 2-(1-heptylazepan-1-ium-1-yl)acetate hydroxide
IUPAC Name: decyl 2-(1-heptylazepan-1-ium-1-yl)acetate hydroxide
SYSTEMATIC NAME: decyl 2-(1-heptylazepan-1-ium-1-yl)ethanoate hydroxide
MOLECULAR FORMULA: C25H51NO3
MOLECULAR WEIGHT: 413.67734
SMILES: CCCCCCCCCCOC(=O)C[N+]1(CCCCCC1)CCCCCCC.[OH-]
Structure:
CAS RN: 130007-54-4
CAS Name: 1,5-dimethyl-4-(methylamino)-2-phenyl-3-pyrazolone; 1,5-dimethyl-2-phenyl-4-propan-2-yl-3-pyrazolone
OPENEYE Name: 1,5-dimethyl-4-(methylamino)-2-phenyl-pyrazol-3-one; 4-isopropyl-1,5-dimethyl-2-phenyl-pyrazol-3-one
IUPAC Name: 1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one; 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one
SYSTEMATIC NAME: 1,5-dimethyl-4-(methylamino)-2-phenyl-pyrazol-3-one; 1,5-dimethyl-2-phenyl-4-propan-2-yl-pyrazol-3-one
MOLECULAR FORMULA: C26H33N5O2
MOLECULAR WEIGHT: 447.57252
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC
Structure:
CAS RN: 130030-60-3
CAS Name: 4-amino-N-(6-methoxy-3-pyridazinyl)benzenesulfonamide; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: 4-azanyl-N-(6-methoxypyridazin-3-yl)benzenesulfonamide; (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C27H30N6O8S2
MOLECULAR WEIGHT: 630.6925
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N
Structure:
CAS RN: 130022-72-9
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]butanedioic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid
MOLECULAR FORMULA: C19H28N6O7
MOLECULAR WEIGHT: 452.46162
SMILES: C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N)O
Structure:
CAS RN: 130007-52-2
CAS Name: 3-[3-(4-azidophenyl)sulfonyl-1-[(4-hydroxy-3-iodophenyl)methyl]-5-propan-2-yl-2-indolyl]-2,2-dimethylpropanoic acid
OPENEYE Name: 3-[3-(4-azidophenyl)sulfonyl-1-[(4-hydroxy-3-iodo-phenyl)methyl]-5-isopropyl-indol-2-yl]-2,2-dimethyl-propanoic acid
IUPAC Name: 3-[3-(4-azidophenyl)sulfonyl-1-[(4-hydroxy-3-iodophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid
SYSTEMATIC NAME: 3-[3-(4-azidophenyl)sulfonyl-1-[(3-iodanyl-4-oxidanyl-phenyl)methyl]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoic acid
MOLECULAR FORMULA: C29H29IN4O5S
MOLECULAR WEIGHT: 672.53383
SMILES: CC(C)C1=CC2=C(C=C1)N(C(=C2S(=O)(=O)C3=CC=C(C=C3)N=[N+]=[N-])CC(C)(C)C(=O)O)CC4=CC(=C(C=C4)O)I
Structure:
CAS RN: 130007-50-0
CAS Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(2R)-6-(3,7-dimethyl-2,6-dioxo-1-purinyl)hexan-2-yl] ester
OPENEYE Name: [(1R)-5-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-1-methyl-pentyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate
IUPAC Name: [(2R)-6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
SYSTEMATIC NAME: [(2R)-6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl] (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate
MOLECULAR FORMULA: C23H27F3N4O5
MOLECULAR WEIGHT: 496.47949
SMILES: C[C@H](CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)[C@@](C3=CC=CC=C3)(C(F)(F)F)OC
Structure:
CAS RN: 130007-44-2
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[[(2S)-1-[(2S)-2-amino-3-carboxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-1,5-dioxopenty
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-carboxy-propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-h
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-hydro
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]ami
MOLECULAR FORMULA: C43H67N13O15
MOLECULAR WEIGHT: 1006.07018
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N
Structure:
CAS RN: 129990-43-8
CAS Name: acetic acid [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(3S,8R,9S,10R,13S,14S,17R)-17-ethanoyl-3-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C28H40O8
MOLECULAR WEIGHT: 504.6124
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=C[C@H](CC[C@]34C)O[C@H]5[C@@H]([C@H]([C@@H](O5)CO)O)O)C)OC(=O)C
Structure:
CAS RN: 129981-36-8
CAS Name: (3R)-3-[[(2S)-6-amino-2-(methanesulfonamido)-1-oxohexyl]amino]-4-[1-[[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-oxomethyl]cyclopentyl]butanoic acid
OPENEYE Name: (3R)-3-[[(2S)-6-amino-2-(methanesulfonamido)hexanoyl]amino]-4-[1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]cyclopentyl]butanoic acid
IUPAC Name: (3R)-3-[[(2S)-6-amino-2-(methanesulfonamido)hexanoyl]amino]-4-[1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]cyclopentyl]butanoic acid
SYSTEMATIC NAME: (3R)-3-[[(2S)-6-azanyl-2-(methylsulfonylamino)hexanoyl]amino]-4-[1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]cyclopentyl]butanoic acid
MOLECULAR FORMULA: C26H40N4O9S
MOLECULAR WEIGHT: 584.6822
SMILES: CS(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)CC1(CCCC1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O
Structure:
CAS RN: 129980-23-0
CAS Name: 2-[[1-[[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-oxomethyl]cyclopentyl]methyl]-4-phenylbutanoic acid
OPENEYE Name: 2-[[1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]cyclopentyl]methyl]-4-phenyl-butanoic acid
IUPAC Name: 2-[[1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]cyclopentyl]methyl]-4-phenylbutanoic acid
SYSTEMATIC NAME: 2-[[1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]cyclopentyl]methyl]-4-phenyl-butanoic acid
MOLECULAR FORMULA: C28H32N2O5
MOLECULAR WEIGHT: 476.56408
SMILES: C1CCC(C1)(CC(CCC2=CC=CC=C2)C(=O)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O
Structure:
CAS RN: 129932-48-5
CAS Name: (2R,3R,4S,5S,6R)-2-(2-phenylethoxy)-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxymethyl]oxane-3,4,5-triol
OPENEYE Name: (2R,3R,4S,5S,6R)-2-(2-phenylethoxy)-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3R,4S,5S,6R)-2-(2-phenylethoxy)-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-(2-phenylethoxy)-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
MOLECULAR FORMULA: C19H28O10
MOLECULAR WEIGHT: 416.41962
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC=CC=C3)O)O)O)O)O)O
Structure:
CAS RN: 129921-89-7
CAS Name: (4R)-5-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-4-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]-5-oxopentanoic acid
OPENEYE Name: (4R)-5-[[(1S)-1-carboxy-4-guanidino-butyl]amino]-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (4R)-5-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4R)-5-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C26H34N12O6
MOLECULAR WEIGHT: 610.62496
SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
Structure:
CAS RN: 129895-82-5
CAS Name: 2,6-ditert-butyl-4-[[(3,5-ditert-butyl-4-hydroxyphenyl)thio]methylthio]phenol
OPENEYE Name: 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylmethylsulfanyl]phenol
IUPAC Name: 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylmethylsulfanyl]phenol
MOLECULAR FORMULA: C29H44O2S2
MOLECULAR WEIGHT: 488.78846
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
Structure:
CAS RN: 129821-07-4
CAS Name: 9-[2-(diethylamino)ethylthio]-3-acridinamine
OPENEYE Name: 9-[2-(diethylamino)ethylsulfanyl]acridin-3-amine
IUPAC Name: 9-[2-(diethylamino)ethylsulfanyl]acridin-3-amine
SYSTEMATIC NAME: 9-[2-(diethylamino)ethylsulfanyl]acridin-3-amine
MOLECULAR FORMULA: C19H23N3S
MOLECULAR WEIGHT: 325.47102
SMILES: CCN(CC)CCSC1=C2C=CC(=CC2=NC3=CC=CC=C31)N
Structure:
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