CAS RN: 109215-47-6
CAS Name: 4-(hydroxymethyl)-3-(1-hydroxy-5-methylhexyl)-2-oxolanone
OPENEYE Name: 4-(hydroxymethyl)-3-(1-hydroxy-5-methyl-hexyl)tetrahydrofuran-2-one
IUPAC Name: 4-(hydroxymethyl)-3-(1-hydroxy-5-methylhexyl)oxolan-2-one
SYSTEMATIC NAME: 4-(hydroxymethyl)-3-(5-methyl-1-oxidanyl-hexyl)oxolan-2-one
MOLECULAR FORMULA: C12H22O4
MOLECULAR WEIGHT: 230.30068
SMILES: CC(C)CCCC(C1C(COC1=O)CO)O
Structure:
CAS RN: 128533-02-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H13NO3
MOLECULAR WEIGHT: 279.29002
SMILES: CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4OC)O)C1=O
Structure:
CAS RN: 109140-25-2
CAS Name: 3-(dipropylamino)-3,4-dihydro-2H-1-benzopyran-5-ol
OPENEYE Name: 3-(dipropylamino)chroman-5-ol
IUPAC Name: 3-(dipropylamino)-3,4-dihydro-2H-chromen-5-ol
SYSTEMATIC NAME: 3-(dipropylamino)-3,4-dihydro-2H-chromen-5-ol
MOLECULAR FORMULA: C15H23NO2
MOLECULAR WEIGHT: 249.34862
SMILES: CCCN(CCC)C1CC2=C(C=CC=C2O)OC1
Structure:
CAS RN: 109075-62-9
CAS Name: 3-(1-hydroxyhexyl)-4-(hydroxymethyl)-2-oxolanone
OPENEYE Name: 3-(1-hydroxyhexyl)-4-(hydroxymethyl)tetrahydrofuran-2-one
IUPAC Name: 3-(1-hydroxyhexyl)-4-(hydroxymethyl)oxolan-2-one
SYSTEMATIC NAME: 4-(hydroxymethyl)-3-(1-oxidanylhexyl)oxolan-2-one
MOLECULAR FORMULA: C11H20O4
MOLECULAR WEIGHT: 216.2741
SMILES: CCCCCC(C1C(COC1=O)CO)O
Structure:
CAS RN: 109075-61-8
CAS Name: 4-(hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)-2-oxolanone
OPENEYE Name: 4-(hydroxymethyl)-3-(1-hydroxy-4-methyl-hexyl)tetrahydrofuran-2-one
IUPAC Name: 4-(hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one
SYSTEMATIC NAME: 4-(hydroxymethyl)-3-(4-methyl-1-oxidanyl-hexyl)oxolan-2-one
MOLECULAR FORMULA: C12H22O4
MOLECULAR WEIGHT: 230.30068
SMILES: CCC(C)CCC(C1C(COC1=O)CO)O
Structure:
CAS RN: 109065-69-2
CAS Name: 2-[(4-benzamidophenyl)sulfonylamino]acetic acid
OPENEYE Name: 2-[(4-benzamidophenyl)sulfonylamino]acetic acid
IUPAC Name: 2-[(4-benzamidophenyl)sulfonylamino]acetic acid
SYSTEMATIC NAME: 2-[(4-benzamidophenyl)sulfonylamino]ethanoic acid
MOLECULAR FORMULA: C15H14N2O5S
MOLECULAR WEIGHT: 334.34706
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O
Structure:
CAS RN: 109064-70-2
CAS Name: (2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-3-[1-[(2-nitrophenyl)thio]-3-indolyl]propanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate
IUPAC Name: methyl (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate
SYSTEMATIC NAME: methyl (2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate
MOLECULAR FORMULA: C24H29N5O5S
MOLECULAR WEIGHT: 499.58256
SMILES: COC(=O)[C@H](CC1=CN(C2=CC=CC=C21)SC3=CC=CC=C3[N+](=O)[O-])NC(=O)[C@H](CCCCN)N
Structure:
CAS RN: 109032-22-6
CAS Name: N-[2-(4-hydroxyphenoxy)-4-nitrophenyl]methanesulfonamide
OPENEYE Name: N-[2-(4-hydroxyphenoxy)-4-nitro-phenyl]methanesulfonamide
IUPAC Name: N-[2-(4-hydroxyphenoxy)-4-nitrophenyl]methanesulfonamide
SYSTEMATIC NAME: N-[4-nitro-2-(4-oxidanylphenoxy)phenyl]methanesulfonamide
MOLECULAR FORMULA: C13H12N2O6S
MOLECULAR WEIGHT: 324.30918
SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)O
Structure:
CAS RN: 128439-97-4
CAS Name: 3-[1-[(2S,3R,4S,5S)-4-azido-3-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2,4-dioxo-5-pyrimidinyl]propanoic acid
OPENEYE Name: 3-[1-[(2S,3R,4S,5S)-4-azido-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]propanoic acid
IUPAC Name: 3-[1-[(2S,3R,4S,5S)-4-azido-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanoic acid
SYSTEMATIC NAME: 3-[1-[(2S,3R,4S,5S)-4-azido-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]propanoic acid
MOLECULAR FORMULA: C12H15N5O7
MOLECULAR WEIGHT: 341.2768
SMILES: C1=C(C(=O)NC(=O)N1[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)N=[N+]=[N-])O)CCC(=O)O
Structure:
CAS RN: 109029-03-0
CAS Name: 4,6-dimethyl-8,9,10,11-tetrahydrobenzofuro[2,3-h][1]benzopyran-2-one
OPENEYE Name: 4,6-dimethyl-8,9,10,11-tetrahydrobenzofuro[2,3-h]chromen-2-one
IUPAC Name: 4,6-dimethyl-8,9,10,11-tetrahydro-[1]benzofuro[2,3-h]chromen-2-one
SYSTEMATIC NAME: 4,6-dimethyl-8,9,10,11-tetrahydro-[1]benzofuro[2,3-h]chromen-2-one
MOLECULAR FORMULA: C17H16O3
MOLECULAR WEIGHT: 268.30714
SMILES: CC1=CC(=O)OC2=C3C4=C(CCCC4)OC3=C(C=C12)C
Structure:
CAS RN: 128420-61-1
CAS Name: 4-[(octadecylamino)-oxomethoxy]-1-piperidinecarboxylic acid [(2R)-3-[[(1-ethyl-2-pyridin-1-iumyl)methyl-[(2-methoxyphenyl)-oxomethyl]amino]-oxomethoxy]-2-methoxypropyl] ester chloride
OPENEYE Name: [(2R)-3-[(1-ethylpyridin-1-ium-2-yl)methyl-(2-methoxybenzoyl)carbamoyl]oxy-2-methoxy-propyl] 4-(octadecylcarbamoyloxy)piperidine-1-carboxylate chloride
IUPAC Name: [(2R)-3-[(1-ethylpyridin-1-ium-2-yl)methyl-(2-methoxybenzoyl)carbamoyl]oxy-2-methoxypropyl] 4-(octadecylcarbamoyloxy)piperidine-1-carboxylate chloride
SYSTEMATIC NAME: [(2R)-3-[(1-ethylpyridin-1-ium-2-yl)methyl-(2-methoxyphenyl)carbonyl-carbamoyl]oxy-2-methoxy-propyl] 4-(octadecylcarbamoyloxy)piperidine-1-carboxylate chloride
MOLECULAR FORMULA: C46H73ClN4O9
MOLECULAR WEIGHT: 861.54622
SMILES: CCCCCCCCCCCCCCCCCCNC(=O)OC1CCN(CC1)C(=O)OC[C@H](COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3OC)OC.[Cl-]
Structure:
CAS RN: 109024-53-5
CAS Name: 2-[[2-[[2-[bis(carboxymethyl)amino]-5-fluoro-4-methylphenoxy]methyl]-8-quinolinyl]-(carboxymethyl)amino]acetic acid
OPENEYE Name: 2-[[2-[[2-[bis(carboxymethyl)amino]-5-fluoro-4-methyl-phenoxy]methyl]-8-quinolyl]-(carboxymethyl)amino]acetic acid
IUPAC Name: 2-[[2-[[2-[bis(carboxymethyl)amino]-5-fluoro-4-methylphenoxy]methyl]quinolin-8-yl]-(carboxymethyl)amino]acetic acid
SYSTEMATIC NAME: 2-[[2-[[2-[bis(2-hydroxy-2-oxoethyl)amino]-5-fluoranyl-4-methyl-phenoxy]methyl]quinolin-8-yl]-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
MOLECULAR FORMULA: C25H24FN3O9
MOLECULAR WEIGHT: 529.471163
SMILES: CC1=CC(=C(C=C1F)OCC2=NC3=C(C=CC=C3N(CC(=O)O)CC(=O)O)C=C2)N(CC(=O)O)CC(=O)O
Structure:
CAS RN: 128395-64-2
CAS Name: 2-[[(2R)-2-[(2-bromo-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]acetic acid
OPENEYE Name: 2-[[(2R)-2-[(2-bromoacetyl)amino]-4-methyl-pentanoyl]amino]acetic acid
IUPAC Name: 2-[[(2R)-2-[(2-bromoacetyl)amino]-4-methylpentanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(2R)-2-(2-bromanylethanoylamino)-4-methyl-pentanoyl]amino]ethanoic acid
MOLECULAR FORMULA: C10H17BrN2O4
MOLECULAR WEIGHT: 309.15698
SMILES: CC(C)C[C@H](C(=O)NCC(=O)O)NC(=O)CBr
Structure:
CAS RN: 109002-91-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H31N3O5
MOLECULAR WEIGHT: 441.52004
SMILES: CC(=O)OCCN(CCOC(=O)C)C(=O)[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C
Structure:
CAS RN: 128311-86-4
CAS Name: N-[[(5S)-2-oxo-3-(4-pyridin-4-ylphenyl)-5-oxazolidinyl]methyl]acetamide
OPENEYE Name: N-[[(5S)-2-oxo-3-[4-(4-pyridyl)phenyl]oxazolidin-5-yl]methyl]acetamide
IUPAC Name: N-[[(5S)-2-oxo-3-(4-pyridin-4-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
SYSTEMATIC NAME: N-[[(5S)-2-oxidanylidene-3-(4-pyridin-4-ylphenyl)-1,3-oxazolidin-5-yl]methyl]ethanamide
MOLECULAR FORMULA: C17H17N3O3
MOLECULAR WEIGHT: 311.33518
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC=C(C=C2)C3=CC=NC=C3
Structure:
CAS RN: 128312-07-2
CAS Name: N-[[(5S)-2-oxo-3-(4-pyridin-4-ylphenyl)-5-oxazolidinyl]methyl]acetamide
OPENEYE Name: N-[[(5S)-2-oxo-3-[4-(4-pyridyl)phenyl]oxazolidin-5-yl]methyl]acetamide
IUPAC Name: N-[[(5S)-2-oxo-3-(4-pyridin-4-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
SYSTEMATIC NAME: N-[[(5S)-2-oxidanylidene-3-(4-pyridin-4-ylphenyl)-1,3-oxazolidin-5-yl]methyl]ethanamide
MOLECULAR FORMULA: C17H17N3O3
MOLECULAR WEIGHT: 311.33518
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC=C(C=C2)C3=CC=NC=C3
Structure:
CAS RN: 108963-06-0
CAS Name: 7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol
OPENEYE Name: 7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol
IUPAC Name: 7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol
SYSTEMATIC NAME: 7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-ol
MOLECULAR FORMULA: C11H15NO3S
MOLECULAR WEIGHT: 241.3067
SMILES: CS(=O)(=O)C1=C(C=C2CCNCCC2=C1)O
Structure:
CAS RN: 108930-00-3
CAS Name: 4-[1-hydroxy-2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]benzene-1,2-diol
OPENEYE Name: 4-[1-hydroxy-2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]benzene-1,2-diol
IUPAC Name: 4-[1-hydroxy-2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]benzene-1,2-diol
SYSTEMATIC NAME: 4-[1-oxidanyl-2-[2-(3,4,5-trimethoxyphenyl)ethylamino]ethyl]benzene-1,2-diol
MOLECULAR FORMULA: C19H25NO6
MOLECULAR WEIGHT: 363.4049
SMILES: COC1=CC(=CC(=C1OC)OC)CCNCC(C2=CC(=C(C=C2)O)O)O
Structure:
CAS RN: 108912-17-0
CAS Name: 2-[4-(3-thiophenyl)phenyl]propanoic acid methyl ester
OPENEYE Name: methyl 2-[4-(3-thienyl)phenyl]propanoate
IUPAC Name: methyl 2-(4-thiophen-3-ylphenyl)propanoate
SYSTEMATIC NAME: methyl 2-(4-thiophen-3-ylphenyl)propanoate
MOLECULAR FORMULA: C14H14O2S
MOLECULAR WEIGHT: 246.32476
SMILES: CC(C1=CC=C(C=C1)C2=CSC=C2)C(=O)OC
Structure:
CAS RN: 158885-09-7
CAS Name: 2-[4-(3-thiophenyl)phenyl]propanoic acid methyl ester
OPENEYE Name: methyl 2-[4-(3-thienyl)phenyl]propanoate
IUPAC Name: methyl 2-(4-thiophen-3-ylphenyl)propanoate
SYSTEMATIC NAME: methyl 2-(4-thiophen-3-ylphenyl)propanoate
MOLECULAR FORMULA: C14H14O2S
MOLECULAR WEIGHT: 246.32476
SMILES: CC(C1=CC=C(C=C1)C2=CSC=C2)C(=O)OC
Structure:
CAS RN: 128129-56-6
CAS Name: 4,9-bis(3,5-dihydroxyphenoxy)benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol
OPENEYE Name: 4,9-bis(3,5-dihydroxyphenoxy)benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol
IUPAC Name: 4,9-bis(3,5-dihydroxyphenoxy)-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol
SYSTEMATIC NAME: 4,9-bis[3,5-bis(oxidanyl)phenoxy]-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol
MOLECULAR FORMULA: C30H18O14
MOLECULAR WEIGHT: 602.45552
SMILES: C1=C(C=C(C=C1O)OC2=C(C=C(C3=C2OC4=CC(=C5C(=C43)OC6=C(O5)C(=C(C=C6O)O)OC7=CC(=CC(=C7)O)O)O)O)O)O
Structure:
CAS RN: 108886-04-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H68O13
MOLECULAR WEIGHT: 780.98152
SMILES: C[C@]12CCC(C(C1CC[C@@]3(C2C=CC45[C@]3(C[C@H](C6([C@@H]4CC(CC6)(C)C)CO5)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O
Structure:
CAS RN: 108861-07-0
CAS Name: 2,3-bis(1-oxotetradecylamino)propyl 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: 2,3-bis(tetradecanoylamino)propyl 2-(trimethylammonio)ethyl phosphate
IUPAC Name: 2,3-bis(tetradecanoylamino)propyl 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: 2,3-bis(tetradecanoylamino)propyl 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C36H74N3O6P
MOLECULAR WEIGHT: 675.963021
SMILES: CCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC
Structure:
CAS RN: 108806-41-3
CAS Name: 3-[4-(carboxymethoxy)-3-[[oxo-[4-(4-phenylbutoxy)phenyl]methyl]amino]phenyl]propanoic acid
OPENEYE Name: 3-[4-(carboxymethoxy)-3-[[4-(4-phenylbutoxy)benzoyl]amino]phenyl]propanoic acid
IUPAC Name: 3-[4-(carboxymethoxy)-3-[[4-(4-phenylbutoxy)benzoyl]amino]phenyl]propanoic acid
SYSTEMATIC NAME: 3-[4-(2-hydroxy-2-oxoethyloxy)-3-[[4-(4-phenylbutoxy)phenyl]carbonylamino]phenyl]propanoic acid
MOLECULAR FORMULA: C28H29NO7
MOLECULAR WEIGHT: 491.53236
SMILES: C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)CCC(=O)O)OCC(=O)O
Structure:
CAS RN: 127966-70-5
CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid 2-[[2-oxo-2-[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]ethyl]thio]ethyl ester
OPENEYE Name: 2-[2-oxo-2-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]ethyl]sulfanylethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate
IUPAC Name: 2-[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl]sulfanylethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
SYSTEMATIC NAME: 2-[2-oxidanylidene-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl]sulfanylethyl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate
MOLECULAR FORMULA: C38H44ClN3O6S
MOLECULAR WEIGHT: 706.29046
SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCCSCC(=O)NCCCOC4=CC=CC(=C4)CN5CCCCC5
Structure:
CAS RN: 108740-89-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H26O8
MOLECULAR WEIGHT: 430.44774
SMILES: CC(=O)OC1CC2(C(CCC2O)C3=C1C4(C(OC(=O)C5=COC(=C54)C3=O)COC)C)C
Structure:
CAS RN: 108736-70-5
CAS Name: (8R,9S,13S,14S)-3-methoxy-13-methyl-2-[(3,3,10,10-tetramethyl-1,2,5,8-dithiadiazecan-5-yl)methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one dihydrochloride
OPENEYE Name: (8R,9S,13S,14S)-3-methoxy-13-methyl-2-[(3,3,10,10-tetramethyl-1,2,5,8-dithiadiazecan-5-yl)methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one dihydrochloride
IUPAC Name: (8R,9S,13S,14S)-3-methoxy-13-methyl-2-[(3,3,10,10-tetramethyl-1,2,5,8-dithiadiazecan-5-yl)methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one dihydrochloride
SYSTEMATIC NAME: (8R,9S,13S,14S)-3-methoxy-13-methyl-2-[(3,3,10,10-tetramethyl-1,2,5,8-dithiadiazecan-5-yl)methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one dihydrochloride
MOLECULAR FORMULA: C30H48Cl2N2O2S2
MOLECULAR WEIGHT: 603.75032
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)CN5CCNCC(SSC(C5)(C)C)(C)C)OC.Cl.Cl
Structure:
CAS RN: 127906-18-7
CAS Name: 3-[[2-[(dimethylamino)methyl]phenyl]thio]phenol
OPENEYE Name: 3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol
IUPAC Name: 3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol
SYSTEMATIC NAME: 3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol
MOLECULAR FORMULA: C15H17NOS
MOLECULAR WEIGHT: 259.36658
SMILES: CN(C)CC1=CC=CC=C1SC2=CC=CC(=C2)O
Structure:
CAS RN: 108736-69-2
CAS Name: 11-[2-[(2-mercapto-2-methyl-1-oxopropyl)amino]ethyl-(2-mercapto-2-methylpropyl)amino]undecanoic acid dihydrochloride
OPENEYE Name: 11-[2-[(2-methyl-2-sulfanyl-propanoyl)amino]ethyl-(2-methyl-2-sulfanyl-propyl)amino]undecanoic acid dihydrochloride
IUPAC Name: 11-[2-[(2-methyl-2-sulfanylpropanoyl)amino]ethyl-(2-methyl-2-sulfanylpropyl)amino]undecanoic acid dihydrochloride
SYSTEMATIC NAME: 11-[2-[(2-methyl-2-sulfanyl-propanoyl)amino]ethyl-(2-methyl-2-sulfanyl-propyl)amino]undecanoic acid dihydrochloride
MOLECULAR FORMULA: C21H44Cl2N2O3S2
MOLECULAR WEIGHT: 507.62166
SMILES: CC(C)(CN(CCCCCCCCCCC(=O)O)CCNC(=O)C(C)(C)S)S.Cl.Cl
Structure:
CAS RN: 127861-40-9
CAS Name: 9,10-dihydroxy-3-methyl-9,10-dihydro-1H-benzo[j]aceanthrylen-2-one
OPENEYE Name: 9,10-dihydroxy-3-methyl-9,10-dihydro-1H-benzo[j]aceanthrylen-2-one
IUPAC Name: 9,10-dihydroxy-3-methyl-9,10-dihydro-1H-benzo[j]aceanthrylen-2-one
SYSTEMATIC NAME: 3-methyl-9,10-bis(oxidanyl)-9,10-dihydro-1H-benzo[j]aceanthrylen-2-one
MOLECULAR FORMULA: C21H16O3
MOLECULAR WEIGHT: 316.34994
SMILES: CC1=C2C(=O)CC3=C2C(=CC4=C3C=CC5=C4C=CC(C5O)O)C=C1
Structure:
CAS RN: 108710-70-9
CAS Name: 2-[[amino(imino)methyl]thio]ethanesulfonic acid
OPENEYE Name: 2-(aminocarbonimidoyl)sulfanylethanesulfonic acid
IUPAC Name: 2-(C-aminocarbonimidoyl)sulfanylethanesulfonic acid
SYSTEMATIC NAME: 2-(C-azanylcarbonimidoyl)sulfanylethanesulfonic acid
MOLECULAR FORMULA: C3H8N2O3S2
MOLECULAR WEIGHT: 186.229762
SMILES: C(CS(=O)(=O)O)S[14C](=N)N
Structure:
CAS RN: 108657-24-5
CAS Name: 6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-1-benzopyran-4-one
OPENEYE Name: 6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one
IUPAC Name: 6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
SYSTEMATIC NAME: 6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-7-methoxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C28H32O15
MOLECULAR WEIGHT: 608.54468
SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
Structure:
CAS RN: 127657-42-5
CAS Name: [1-hydroxy-2-(3-imidazo[1,2-a]pyridinyl)-1-phosphonoethyl]phosphonic acid
OPENEYE Name: (1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphono-ethyl)phosphonic acid
IUPAC Name: (1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid
SYSTEMATIC NAME: (2-imidazo[1,2-a]pyridin-3-yl-1-oxidanyl-1-phosphono-ethyl)phosphonic acid
MOLECULAR FORMULA: C9H12N2O7P2
MOLECULAR WEIGHT: 322.148302
SMILES: C1=CC2=NC=C(N2C=C1)CC(O)(P(=O)(O)O)P(=O)(O)O
Structure:
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