CAS RN: 123016-73-9
CAS Name: (1-nitroso-2-piperidinyl) dihydrogen phosphate
OPENEYE Name: (1-nitroso-2-piperidyl) dihydrogen phosphate
IUPAC Name: (1-nitrosopiperidin-2-yl) dihydrogen phosphate
SYSTEMATIC NAME: (1-nitrosopiperidin-2-yl) dihydrogen phosphate
MOLECULAR FORMULA: C5H11N2O5P
MOLECULAR WEIGHT: 210.125001
SMILES: C1CCN(C(C1)OP(=O)(O)O)N=O
Structure:
CAS RN: 107408-10-6
CAS Name: 4-[[6-(dimethylamino)-2-naphthalenyl]-oxomethyl]-1-cyclohexanecarboxylic acid
OPENEYE Name: 4-[6-(dimethylamino)naphthalene-2-carbonyl]cyclohexanecarboxylic acid
IUPAC Name: 4-[6-(dimethylamino)naphthalene-2-carbonyl]cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 4-[6-(dimethylamino)naphthalen-2-yl]carbonylcyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C20H23NO3
MOLECULAR WEIGHT: 325.40152
SMILES: CN(C)C1=CC2=C(C=C1)C=C(C=C2)C(=O)C3CCC(CC3)C(=O)O
Structure:
CAS RN: 123002-39-1
CAS Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinesulfonamide
OPENEYE Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-6-sulfonamide
IUPAC Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-sulfonamide
SYSTEMATIC NAME: 2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purine-6-sulfonamide
MOLECULAR FORMULA: C10H14N6O6S
MOLECULAR WEIGHT: 346.31976
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(N=C2S(=O)(=O)N)N
Structure:
CAS RN: 133304-99-1
CAS Name: (2S)-2-[6-(2-quinolinylmethoxy)-2-naphthalenyl]propanoic acid
OPENEYE Name: (2S)-2-[6-(2-quinolylmethoxy)-2-naphthyl]propanoic acid
IUPAC Name: (2S)-2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid
SYSTEMATIC NAME: (2S)-2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid
MOLECULAR FORMULA: C23H19NO3
MOLECULAR WEIGHT: 357.40186
SMILES: C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O
Structure:
CAS RN: 123016-21-7
CAS Name: (2S)-2-[6-(2-quinolinylmethoxy)-2-naphthalenyl]propanoic acid
OPENEYE Name: (2S)-2-[6-(2-quinolylmethoxy)-2-naphthyl]propanoic acid
IUPAC Name: (2S)-2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid
SYSTEMATIC NAME: (2S)-2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid
MOLECULAR FORMULA: C23H19NO3
MOLECULAR WEIGHT: 357.40186
SMILES: C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O
Structure:
CAS RN: 123002-38-0
CAS Name: (2R,3R,4S,5R)-2-[2-amino-6-(aminothio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2R,3R,4S,5R)-2-(2-amino-6-aminosulfanyl-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3R,4S,5R)-2-(2-amino-6-aminosulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-(2-azanyl-6-azanylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H14N6O4S
MOLECULAR WEIGHT: 314.32096
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(N=C2SN)N
Structure:
CAS RN: 73712-25-1
CAS Name: 1-[ethyl-(6-hydrazinyl-3-pyridazinyl)amino]-2-propanol
OPENEYE Name: 1-[ethyl-(6-hydrazinopyridazin-3-yl)amino]propan-2-ol
IUPAC Name: 1-[ethyl-(6-hydrazinylpyridazin-3-yl)amino]propan-2-ol
SYSTEMATIC NAME: 1-[(6-diazanylpyridazin-3-yl)-ethyl-amino]propan-2-ol
MOLECULAR FORMULA: C9H17N5O
MOLECULAR WEIGHT: 211.26418
SMILES: CCN(CC(C)O)C1=NN=C(C=C1)NN
Structure:
CAS RN: 113341-59-6
CAS Name: 1-[ethyl-(6-hydrazinyl-3-pyridazinyl)amino]-2-propanol
OPENEYE Name: 1-[ethyl-(6-hydrazinopyridazin-3-yl)amino]propan-2-ol
IUPAC Name: 1-[ethyl-(6-hydrazinylpyridazin-3-yl)amino]propan-2-ol
SYSTEMATIC NAME: 1-[(6-diazanylpyridazin-3-yl)-ethyl-amino]propan-2-ol
MOLECULAR FORMULA: C9H17N5O
MOLECULAR WEIGHT: 211.26418
SMILES: CCN(CC(C)O)C1=NN=C(C=C1)NN
Structure:
CAS RN: 26696-56-0
CAS Name: N-[3-(3-aminopropylamino)propyl]acetamide
OPENEYE Name: N-[3-(3-aminopropylamino)propyl]acetamide
IUPAC Name: N-[3-(3-aminopropylamino)propyl]acetamide
SYSTEMATIC NAME: N-[3-(3-azanylpropylamino)propyl]ethanamide
MOLECULAR FORMULA: C8H19N3O
MOLECULAR WEIGHT: 173.25596
SMILES: CC(=O)NCCCNCCCN
Structure:
CAS RN: 7357-42-8
CAS Name: 2-[[(10R,13S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]thio]acetic acid
OPENEYE Name: 2-[[(10R,13S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]sulfanyl]acetic acid
IUPAC Name: 2-[[(10R,13S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]sulfanyl]acetic acid
SYSTEMATIC NAME: 2-[[(10R,13S,17S)-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]sulfanyl]ethanoic acid
MOLECULAR FORMULA: C21H30O4S
MOLECULAR WEIGHT: 378.5255
SMILES: C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C(C(=O)CC[C@]34C)SCC(=O)O
Structure:
CAS RN: 70741-38-7
CAS Name: (3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H44O
MOLECULAR WEIGHT: 384.63766
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
CAS RN: 103183-96-6
CAS Name: 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: dimethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C17H19NO4
MOLECULAR WEIGHT: 301.33706
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2)C(=O)OC
Structure:
CAS RN: 161838-96-6
CAS Name: 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: dimethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C17H19NO4
MOLECULAR WEIGHT: 301.33706
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2)C(=O)OC
Structure:
CAS RN: 173260-85-0
CAS Name: 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: dimethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C17H19NO4
MOLECULAR WEIGHT: 301.33706
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2)C(=O)OC
Structure:
CAS RN: 192931-34-3
CAS Name: 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: dimethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C17H19NO4
MOLECULAR WEIGHT: 301.33706
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2)C(=O)OC
Structure:
CAS RN: 73095-06-4
CAS Name: 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: dimethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C17H19NO4
MOLECULAR WEIGHT: 301.33706
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2)C(=O)OC
Structure:
CAS RN: 72686-25-0
CAS Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(4-hydroxy-2-prop-2-enylphenoxy)-3-(propan-2-ylamino)propan-2-yl]oxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[1-[(2-allyl-4-hydroxy-phenoxy)methyl]-2-(isopropylamino)ethoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(4-hydroxy-2-prop-2-enylphenoxy)-3-(propan-2-ylamino)propan-2-yl]oxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-[1-(4-oxidanyl-2-prop-2-enyl-phenoxy)-3-(propan-2-ylamino)propan-2-yl]oxy-oxane-2-carboxylic acid
MOLECULAR FORMULA: C21H31NO9
MOLECULAR WEIGHT: 441.47214
SMILES: CC(C)NCC(COC1=C(C=C(C=C1)O)CC=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
Structure:
CAS RN: 7252-60-0
CAS Name: (1R,2R)-5-amino-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol
OPENEYE Name: (1R,2R)-5-amino-2-(isopropylamino)tetralin-1,6-diol
IUPAC Name: (1R,2R)-5-amino-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol
SYSTEMATIC NAME: (1R,2R)-5-azanyl-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol
MOLECULAR FORMULA: C13H20N2O2
MOLECULAR WEIGHT: 236.3101
SMILES: CC(C)N[C@@H]1CCC2=C([C@H]1O)C=CC(=C2N)O
Structure:
CAS RN: 103624-59-5
CAS Name: 3-(3-chloro-5-benzo[d][1,3,6]benzodioxazocinyl)-N,N,2-trimethyl-1-propanamine
OPENEYE Name: 3-(3-chlorobenzo[d][1,3,6]benzodioxazocin-5-yl)-N,N,2-trimethyl-propan-1-amine
IUPAC Name: 3-(3-chlorobenzo[d][1,3,6]benzodioxazocin-5-yl)-N,N,2-trimethylpropan-1-amine
SYSTEMATIC NAME: 3-(3-chloranylbenzo[d][1,3,6]benzodioxazocin-5-yl)-N,N,2-trimethyl-propan-1-amine
MOLECULAR FORMULA: C19H23ClN2O2
MOLECULAR WEIGHT: 346.85112
SMILES: CC(CN1C2=CC=CC=C2OCOC3=C1C=C(C=C3)Cl)CN(C)C
Structure:
CAS RN: 70161-99-8
CAS Name: 1,1-bis(4-chlorophenyl)ethanol; 4-chlorobenzenesulfonic acid (4-chlorophenyl) ester
OPENEYE Name: 1,1-bis(4-chlorophenyl)ethanol; (4-chlorophenyl) 4-chlorobenzenesulfonate
IUPAC Name: 1,1-bis(4-chlorophenyl)ethanol; (4-chlorophenyl) 4-chlorobenzenesulfonate
SYSTEMATIC NAME: 1,1-bis(4-chlorophenyl)ethanol; (4-chlorophenyl) 4-chloranylbenzenesulfonate
MOLECULAR FORMULA: C26H20Cl4O4S
MOLECULAR WEIGHT: 570.3116
SMILES: CC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O.C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 7251-72-1
CAS Name: 1-[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidinyl)amino]-3-(2-nitro-1-imidazolyl)-2-propanol
OPENEYE Name: 1-[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidyl)amino]-3-(2-nitroimidazol-1-yl)propan-2-ol
IUPAC Name: 1-[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-(2-nitroimidazol-1-yl)propan-2-ol
SYSTEMATIC NAME: 1-[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-piperidin-4-yl)amino]-3-(2-nitroimidazol-1-yl)propan-2-ol
MOLECULAR FORMULA: C15H26N5O4
MOLECULAR WEIGHT: 340.39804
SMILES: CC1(CC(CC(N1[O])(C)C)NCC(CN2C=CN=C2[N+](=O)[O-])O)C
Structure:
CAS RN: 70133-35-6
CAS Name: 3-[[4-[5-(hydroxymethyl)-2-oxo-3-oxazolidinyl]phenoxy]methyl]benzonitrile
OPENEYE Name: 3-[[4-[5-(hydroxymethyl)-2-oxo-oxazolidin-3-yl]phenoxy]methyl]benzonitrile
IUPAC Name: 3-[[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]benzonitrile
SYSTEMATIC NAME: 3-[[4-[5-(hydroxymethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]phenoxy]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C18H16N2O4
MOLECULAR WEIGHT: 324.33064
SMILES: C1C(OC(=O)N1C2=CC=C(C=C2)OCC3=CC=CC(=C3)C#N)CO
Structure:
CAS RN: 70132-48-8
CAS Name: 1-(2-nitro-1-imidazolyl)-3-(1-pyrrolidinyl)-2-propanol
OPENEYE Name: 1-(2-nitroimidazol-1-yl)-3-pyrrolidin-1-yl-propan-2-ol
IUPAC Name: 1-(2-nitroimidazol-1-yl)-3-pyrrolidin-1-ylpropan-2-ol
SYSTEMATIC NAME: 1-(2-nitroimidazol-1-yl)-3-pyrrolidin-1-yl-propan-2-ol
MOLECULAR FORMULA: C10H16N4O3
MOLECULAR WEIGHT: 240.25904
SMILES: C1CCN(C1)CC(CN2C=CN=C2[N+](=O)[O-])O
Structure:
CAS RN: 70110-58-6
CAS Name: 2-amino-6-(1,2-dihydroxypropyl)-4a-hydroxy-1,5,6,7-tetrahydropteridin-4-one
OPENEYE Name: 2-amino-6-(1,2-dihydroxypropyl)-4a-hydroxy-1,5,6,7-tetrahydropteridin-4-one
IUPAC Name: 2-amino-6-(1,2-dihydroxypropyl)-4a-hydroxy-1,5,6,7-tetrahydropteridin-4-one
SYSTEMATIC NAME: 2-azanyl-6-[1,2-bis(oxidanyl)propyl]-4a-oxidanyl-1,5,6,7-tetrahydropteridin-4-one
MOLECULAR FORMULA: C9H15N5O4
MOLECULAR WEIGHT: 257.2465
SMILES: CC(C(C1CN=C2C(N1)(C(=O)N=C(N2)N)O)O)O
Structure:
CAS RN: 70091-23-5
CAS Name: 9-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethyl-6-purinamine
OPENEYE Name: 9-[(2-chloro-6-fluoro-phenyl)methyl]-N,N-dimethyl-purin-6-amine
IUPAC Name: 9-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylpurin-6-amine
SYSTEMATIC NAME: 9-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N,N-dimethyl-purin-6-amine
MOLECULAR FORMULA: C14H13ClFN5
MOLECULAR WEIGHT: 305.737923
SMILES: CN(C)C1=NC=NC2=C1N=CN2CC3=C(C=CC=C3Cl)F
Structure:
CAS RN: 122998-73-6
CAS Name: N-[3-[[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propyl]-2,2,2-trifluoroacetamide
OPENEYE Name: N-[3-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypropyl]-2,2,2-trifluoro-acetamide
IUPAC Name: N-[3-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide
SYSTEMATIC NAME: N-[3-[(2R,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxypropyl]-2,2,2-tris(fluoranyl)ethanamide
MOLECULAR FORMULA: C13H21F3N2O7
MOLECULAR WEIGHT: 374.31025
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OCCCNC(=O)C(F)(F)F)CO)O)O
Structure:
CAS RN: 122998-75-8
CAS Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-h
OPENEYE Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3
IUPAC Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropan
SYSTEMATIC NAME: (2S)-5-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-ox
MOLECULAR FORMULA: C51H93N17O16S
MOLECULAR WEIGHT: 1232.45342
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)N
Structure:
CAS RN: 122998-76-9
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-4-(methylthio)-1-oxobutyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]pentanedioic acid
MOLECULAR FORMULA: C25H39N5O8S
MOLECULAR WEIGHT: 569.67086
SMILES: CSCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=C(C=C1)O)N
Structure:
CAS RN: 122956-68-7
CAS Name: 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methyl-1-imidazo[4,5-c]pyridinyl)phenyl]-5-[oxo-(2-pyridinylamino)methyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-5-(2-pyridylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
IUPAC Name: ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
MOLECULAR FORMULA: C34H29ClN6O3
MOLECULAR WEIGHT: 605.08546
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=N3)C)C4=CC=C(C=C4)N5C(=NC6=C5C=CN=C6)C
Structure:
CAS RN: 122910-12-7
CAS Name: (2S)-2-[(4-amino-1-oxobutyl)amino]pentanedioic acid
OPENEYE Name: (2S)-2-(4-aminobutanoylamino)pentanedioic acid
IUPAC Name: (2S)-2-(4-aminobutanoylamino)pentanedioic acid
SYSTEMATIC NAME: (2S)-2-(4-azanylbutanoylamino)pentanedioic acid
MOLECULAR FORMULA: C9H16N2O5
MOLECULAR WEIGHT: 232.23374
SMILES: C(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)CN
Structure:
CAS RN: 122923-02-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H30O6
MOLECULAR WEIGHT: 366.4486
SMILES: CC#CC(C)(C1=C2C3CC(C(C2(C(O3)CC1)OCOC)C)OCOC)O
Structure:
CAS RN: 122908-04-7
CAS Name: (4R)-4-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-3-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
OPENEYE Name: (4R)-4-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC Name: (4R)-4-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-7-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C32H53NO9
MOLECULAR WEIGHT: 595.76452
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)C)O)C
Structure:
CAS RN: 122892-31-3
CAS Name: N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxybenzamide hydrochloride
OPENEYE Name: N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxy-benzamide hydrochloride
IUPAC Name: N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxybenzamide hydrochloride
SYSTEMATIC NAME: N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxy-benzamide hydrochloride
MOLECULAR FORMULA: C20H27ClN2O4
MOLECULAR WEIGHT: 394.89238
SMILES: CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC.Cl
Structure:
CAS RN: 122860-98-4
CAS Name: (2S,3S,4R)-2-(1,3-benzodioxol-5-yl)-2-methyl-5-oxooxolane-3,4-dicarboxylic acid O3-methyl ester O4-[oxo-(3,4,5-trimethoxyphenyl)methyl] ester
OPENEYE Name: O3-methyl O4-(3,4,5-trimethoxybenzoyl) (2S,3S,4R)-2-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-tetrahydrofuran-3,4-dicarboxylate
IUPAC Name: 3-O-methyl 4-O-(3,4,5-trimethoxybenzoyl) (2S,3S,4R)-2-(1,3-benzodioxol-5-yl)-2-methyl-5-oxooxolane-3,4-dicarboxylate
SYSTEMATIC NAME: O3-methyl O4-(3,4,5-trimethoxyphenyl)carbonyl (2S,3S,4R)-2-(1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-oxolane-3,4-dicarboxylate
MOLECULAR FORMULA: C25H24O12
MOLECULAR WEIGHT: 516.45086
SMILES: C[C@]1([C@H]([C@H](C(=O)O1)C(=O)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OC)C3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 122861-46-5
CAS Name: 4-cyclohexyl-1-methylpyridin-1-ium
OPENEYE Name: 4-cyclohexyl-1-methyl-pyridin-1-ium
IUPAC Name: 4-cyclohexyl-1-methylpyridin-1-ium
SYSTEMATIC NAME: 4-cyclohexyl-1-methyl-pyridin-1-ium
MOLECULAR FORMULA: C12H18N+
MOLECULAR WEIGHT: 176.27802
SMILES: C[N+]1=CC=C(C=C1)C2CCCCC2
Structure:
CAS RN: 122866-79-9
CAS Name: 4-amino-5-chloro-N-[(3S,4R)-1-[4-[4-(dimethylamino)-1-piperidinyl]-4-oxobutyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide
OPENEYE Name: 4-amino-5-chloro-N-[(3S,4R)-1-[4-[4-(dimethylamino)-1-piperidyl]-4-oxo-butyl]-3-methoxy-4-piperidyl]-2-methoxy-benzamide
IUPAC Name: 4-amino-5-chloro-N-[(3S,4R)-1-[4-[4-(dimethylamino)piperidin-1-yl]-4-oxobutyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
SYSTEMATIC NAME: 4-azanyl-5-chloranyl-N-[(3S,4R)-1-[4-[4-(dimethylamino)piperidin-1-yl]-4-oxidanylidene-butyl]-3-methoxy-piperidin-4-yl]-2-methoxy-benzamide
MOLECULAR FORMULA: C25H40ClN5O4
MOLECULAR WEIGHT: 510.0692
SMILES: CN(C)C1CCN(CC1)C(=O)CCCN2CC[C@H]([C@H](C2)OC)NC(=O)C3=CC(=C(C=C3OC)N)Cl
Structure:
CAS RN: 122858-76-8
CAS Name: 4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]-1-piperazinecarboximidamide dihydrochloride
OPENEYE Name: 4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazine-1-carboxamidine dihydrochloride
IUPAC Name: 4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazine-1-carboximidamide dihydrochloride
SYSTEMATIC NAME: 4-[2-oxidanylidene-2-(6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazine-1-carboximidamide dihydrochloride
MOLECULAR FORMULA: C19H23Cl2N7O2
MOLECULAR WEIGHT: 452.33762
SMILES: C1CN(CCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4)C(=N)N.Cl.Cl
Structure:
CAS RN: 122856-01-3
CAS Name: 3-trimethylstannylbenzoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 3-trimethylstannylbenzoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-trimethylstannylbenzoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 3-trimethylstannylbenzoate
MOLECULAR FORMULA: C14H17NO4Sn
MOLECULAR WEIGHT: 381.99908
SMILES: C[Sn](C)(C)C1=CC=CC(=C1)C(=O)ON2C(=O)CCC2=O
Structure:
CAS RN: 122855-39-4
CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobu
OPENEYE Name: (3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(1S,2S)-1-[[(1S,2S)-1-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic
SYSTEMATIC NAME: (3S)-3-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylid
MOLECULAR FORMULA: C39H58N10O8
MOLECULAR WEIGHT: 794.94002
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)N
Structure:
CAS RN: 122853-28-5
CAS Name: N-[2-[5-methoxy-2-(phenylmethyl)-1H-indol-3-yl]ethyl]acetamide
OPENEYE Name: N-[2-(2-benzyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
IUPAC Name: N-[2-(2-benzyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
SYSTEMATIC NAME: N-[2-[5-methoxy-2-(phenylmethyl)-1H-indol-3-yl]ethyl]ethanamide
MOLECULAR FORMULA: C20H22N2O2
MOLECULAR WEIGHT: 322.40088
SMILES: CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)CC3=CC=CC=C3
Structure:
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