CAS RN: 144674-75-9
CAS Name: 2-[1,5-bis(1-pyrenyl)pentan-3-ylamino]ethanol
OPENEYE Name: 2-[[3-pyren-1-yl-1-(2-pyren-1-ylethyl)propyl]amino]ethanol
IUPAC Name: 2-[1,5-di(pyren-1-yl)pentan-3-ylamino]ethanol
SYSTEMATIC NAME: 2-[1,5-di(pyren-1-yl)pentan-3-ylamino]ethanol
MOLECULAR FORMULA: C39H33NO
MOLECULAR WEIGHT: 531.68542
SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCC(CCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)NCCO
Structure:
CAS RN: 144674-69-1
CAS Name: 2,2-dimethylpropanoic acid [4-(2,5-dioxo-3-pyrrolyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl ester
OPENEYE Name: [4-(2,5-dioxopyrrol-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl 2,2-dimethylpropanoate
IUPAC Name: [4-(2,5-dioxopyrrol-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl 2,2-dimethylpropanoate
SYSTEMATIC NAME: [4-[2,5-bis(oxidanylidene)pyrrol-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C18H25NO6
MOLECULAR WEIGHT: 351.3942
SMILES: CC1(OC2C(CC(C2O1)C3=CC(=O)NC3=O)COC(=O)C(C)(C)C)C
Structure:
CAS RN: 144588-46-5
CAS Name: N-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[3,4-f]quinolin-9-amine hydrochloride
OPENEYE Name: N-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[3,4-f]quinolin-9-amine hydrochloride
IUPAC Name: N-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[3,4-f]quinolin-9-amine hydrochloride
SYSTEMATIC NAME: N-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[3,4-f]quinolin-9-amine hydrochloride
MOLECULAR FORMULA: C18H17ClN4O
MOLECULAR WEIGHT: 340.80678
SMILES: CC1=NC2=C(C(=C1)NC3=CC(=CC=C3)OC)C4=C(C=C2)C=NN4.Cl
Structure:
CAS RN: 144583-97-1
CAS Name: 2,6-ditert-butyl-4-[3-(3,5-ditert-butyl-4-hydroxyphenoxy)propoxy]phenol
OPENEYE Name: 2,6-ditert-butyl-4-[3-(3,5-ditert-butyl-4-hydroxy-phenoxy)propoxy]phenol
IUPAC Name: 2,6-ditert-butyl-4-[3-(3,5-ditert-butyl-4-hydroxyphenoxy)propoxy]phenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-[3-(3,5-ditert-butyl-4-oxidanyl-phenoxy)propoxy]phenol
MOLECULAR FORMULA: C31H48O4
MOLECULAR WEIGHT: 484.71042
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OCCCOC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
Structure:
CAS RN: 144576-50-1
CAS Name: 1-(3-phenyl-5-isoxazolyl)-2-(1-pyrrolidinylmethyl)-1-butanone hydrochloride
OPENEYE Name: 1-(3-phenylisoxazol-5-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one hydrochloride
IUPAC Name: 1-(3-phenyl-1,2-oxazol-5-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one hydrochloride
SYSTEMATIC NAME: 1-(3-phenyl-1,2-oxazol-5-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one hydrochloride
MOLECULAR FORMULA: C18H23ClN2O2
MOLECULAR WEIGHT: 334.84042
SMILES: CCC(CN1CCCC1)C(=O)C2=CC(=NO2)C3=CC=CC=C3.Cl
Structure:
CAS RN: 144558-52-1
CAS Name: hexadecanoic acid [2-[(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxopropoxy]-3-(1-oxohexadecoxy)propyl] ester
OPENEYE Name: [2-[(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]oxy-3-hexadecanoyloxy-propyl] hexadecanoate
IUPAC Name: [2-[(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]oxy-3-hexadecanoyloxypropyl] hexadecanoate
SYSTEMATIC NAME: [2-[(2S)-2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]oxy-3-hexadecanoyloxy-propyl] hexadecanoate
MOLECULAR FORMULA: C48H84Cl2N2O6
MOLECULAR WEIGHT: 856.09636
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)[C@H](CC1=CC=C(C=C1)N(CCCl)CCCl)N
Structure:
CAS RN: 144548-33-4
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C29H41N7O5
MOLECULAR WEIGHT: 567.67974
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=CC=C2)N
Structure:
CAS RN: 144535-22-8
CAS Name: (3S,5S,9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
OPENEYE Name: (3S,5S,9R,10S,13R,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
IUPAC Name: (3S,5S,9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
SYSTEMATIC NAME: (3S,5S,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-oxidanyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
MOLECULAR FORMULA: C27H42O2
MOLECULAR WEIGHT: 398.62118
SMILES: C[C@H](CCC=C(C)C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@]12C)C)O
Structure:
CAS RN: 144510-15-6
CAS Name: 2,2-dimethylpropanoic acid [(2,2-dimethyl-1-oxopropoxy)methoxy-[[(2S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy]phosphoryl]oxymethyl ester
OPENEYE Name: [2,2-dimethylpropanoyloxymethoxy-[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate
IUPAC Name: [2,2-dimethylpropanoyloxymethoxy-[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate
SYSTEMATIC NAME: [[(2S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C21H33N2O11P
MOLECULAR WEIGHT: 520.467281
SMILES: CC(C)(C)C(=O)OCOP(=O)(OC[C@@H]1CC[C@@H](O1)N2C=CC(=O)NC2=O)OCOC(=O)C(C)(C)C
Structure:
CAS RN: 144450-13-5
CAS Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(1S)-2-[(2-amino-2-oxo-ethyl)amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]pyrrolidine-2-carboxamide
IUPAC Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-1-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C27H32N6O5
MOLECULAR WEIGHT: 520.58018
SMILES: C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)N
Structure:
CAS RN: 144425-86-5
CAS Name: ethanesulfonic acid; 5-(2,3,5-trichlorophenyl)pyrimidine-2,4-diamine
OPENEYE Name: ethanesulfonic acid; 5-(2,3,5-trichlorophenyl)pyrimidine-2,4-diamine
IUPAC Name: ethanesulfonic acid; 5-(2,3,5-trichlorophenyl)pyrimidine-2,4-diamine
SYSTEMATIC NAME: ethanesulfonic acid; 5-[2,3,5-tris(chloranyl)phenyl]pyrimidine-2,4-diamine
MOLECULAR FORMULA: C12H13Cl3N4O3S
MOLECULAR WEIGHT: 399.68062
SMILES: CCS(=O)(=O)O.C1=C(C=C(C(=C1Cl)Cl)C2=CN=C(N=C2N)N)Cl
Structure:
CAS RN: 144425-84-3
CAS Name: (2R,3R)-2-(diphenylmethyl)-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
OPENEYE Name: (2R,3R)-2-benzhydryl-N-[(2-iodophenyl)methyl]quinuclidin-3-amine
IUPAC Name: (2R,3R)-2-benzhydryl-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SYSTEMATIC NAME: (2R,3R)-2-(diphenylmethyl)-N-[(2-iodanylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
MOLECULAR FORMULA: C27H29IN2
MOLECULAR WEIGHT: 508.43703
SMILES: C1CN2CCC1[C@H]([C@H]2C(C3=CC=CC=C3)C4=CC=CC=C4)NCC5=CC=CC=C5I
Structure:
CAS RN: 144407-45-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H28O2
MOLECULAR WEIGHT: 252.39232
SMILES: C[C@]12CCC[C@@H](C13C[C@@H](CC2)C(O3)(C)C)COC
Structure:
CAS RN: 144396-38-3
CAS Name: (3S)-3-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-(4-sulfooxyphenyl)propyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-4-oxo-4-(2-phenylethoxy)butanoi
OPENEYE Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-oxo-4-(2-phenylethoxy)butanoic acid
IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxo-4-(2-phenylethoxy)butanoic acid
SYSTEMATIC NAME: (3S)-3-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]ethanoylamino]propanoyl]amino]hexanoyl]amino]-4-oxidanylidene-4-(2-phenylethoxy)butanoic acid
MOLECULAR FORMULA: C49H66N6O16S
MOLECULAR WEIGHT: 1027.14394
SMILES: CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)OCCC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)OS(=O)(=O)O)NC(=O)OC(C)(C)C
Structure:
CAS RN: 144356-81-0
CAS Name: acetic acid [(3S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(3S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(3S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(3S,6S,8R,9S,10R,13S,14S,17R)-17-ethanoyl-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C30H46O9
MOLECULAR WEIGHT: 550.68084
SMILES: C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=C[C@H](CC4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C
Structure:
CAS RN: 144335-51-3
CAS Name: 3-fluoro-1-propanesulfonate
OPENEYE Name: 3-fluoropropane-1-sulfonate
IUPAC Name: 3-fluoropropane-1-sulfonate
SYSTEMATIC NAME: 3-fluoranylpropane-1-sulfonate
MOLECULAR FORMULA: C3H6FO3S-
MOLECULAR WEIGHT: 141.141343
SMILES: C(CF)CS(=O)(=O)[O-]
Structure:
CAS RN: 144332-32-1
CAS Name: N'-cyano-N-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethyl)-N-methylcarbamimidothioic acid methyl ester hydrochloride
OPENEYE Name: 3-cyano-1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethyl)-1,2-dimethyl-isothiourea hydrochloride
IUPAC Name: methyl N'-cyano-N-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethyl)-N-methylcarbamimidothioate hydrochloride
SYSTEMATIC NAME: methyl N'-cyano-N-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethyl)-N-methyl-carbamimidothioate hydrochloride
MOLECULAR FORMULA: C19H21ClN4S
MOLECULAR WEIGHT: 372.91484
SMILES: CN(CC1C2=CC=CC=C2CC3=CC=CC=C3N1)C(=NC#N)SC.Cl
Structure:
CAS RN: 144319-66-4
CAS Name: N-[1,3-dioxo-2-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-5-isoindolyl]benzamide hydrochloride
OPENEYE Name: N-[2-[2-(1-benzyl-4-piperidyl)ethyl]-1,3-dioxo-isoindolin-5-yl]benzamide hydrochloride
IUPAC Name: N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-5-yl]benzamide hydrochloride
SYSTEMATIC NAME: N-[1,3-bis(oxidanylidene)-2-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]isoindol-5-yl]benzamide hydrochloride
MOLECULAR FORMULA: C29H30ClN3O3
MOLECULAR WEIGHT: 504.0198
SMILES: C1CN(CCC1CCN2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)C4=CC=CC=C4)CC5=CC=CC=C5.Cl
Structure:
CAS RN: 144304-34-7
CAS Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-bromo-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-4-carboxy-1-oxobutyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic a
OPENEYE Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-bromoacetyl)amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-carboxy-butanoyl]amino]-5-[[(1S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]-3-methyl-butyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-bromoacetyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-bromanylethanoylamino)-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxid
MOLECULAR FORMULA: C42H57BrN6O13
MOLECULAR WEIGHT: 933.83838
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CBr
Structure:
CAS RN: 144284-57-1
CAS Name: (4S,7S)-7-[[(1S)-1-carboxy-3-(4-hydroxyphenyl)propyl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid
OPENEYE Name: (4S,7S)-7-[[(1S)-1-carboxy-3-(4-hydroxyphenyl)propyl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid
IUPAC Name: (4S,7S)-7-[[(1S)-1-carboxy-3-(4-hydroxyphenyl)propyl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid
SYSTEMATIC NAME: (4S,7S)-7-[[(2S)-4-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-6-oxidanylidene-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a][1,2]diazepine-4-carboxylic acid
MOLECULAR FORMULA: C20H27N3O6
MOLECULAR WEIGHT: 405.44488
SMILES: C1C[C@@H](C(=O)N2[C@@H](CCCN2C1)C(=O)O)N[C@@H](CCC3=CC=C(C=C3)O)C(=O)O
Structure:
CAS RN: 144284-17-3
CAS Name: 5-(13-methyltetradecyl)benzene-1,3-diol
OPENEYE Name: 5-(13-methyltetradecyl)benzene-1,3-diol
IUPAC Name: 5-(13-methyltetradecyl)benzene-1,3-diol
SYSTEMATIC NAME: 5-(13-methyltetradecyl)benzene-1,3-diol
MOLECULAR FORMULA: C21H36O2
MOLECULAR WEIGHT: 320.50934
SMILES: CC(C)CCCCCCCCCCCCC1=CC(=CC(=C1)O)O
Structure:
CAS RN: 144262-66-8
CAS Name: 2-(4-carbamimidoylanilino)-4-chlorobenzoic acid
OPENEYE Name: 2-(4-carbamimidoylanilino)-4-chloro-benzoic acid
IUPAC Name: 2-(4-carbamimidoylanilino)-4-chlorobenzoic acid
SYSTEMATIC NAME: 2-[(4-carbamimidoylphenyl)amino]-4-chloranyl-benzoic acid
MOLECULAR FORMULA: C14H12ClN3O2
MOLECULAR WEIGHT: 289.71698
SMILES: C1=CC(=CC=C1C(=N)N)NC2=C(C=CC(=C2)Cl)C(=O)O
Structure:
CAS RN: 144260-91-3
CAS Name: (2S,3R,4S,5S,6R)-3-[[(2S,3R,4S,5S,6R)-6-[[(2R,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxy-2-oxanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-6-(hydroxymethyl)oxane-2,4,5-triol
OPENEYE Name: (2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol
IUPAC Name: (2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
SYSTEMATIC NAME: (2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3S,4S,5S,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
MOLECULAR FORMULA: C19H34O17
MOLECULAR WEIGHT: 534.46306
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@@H](CO)O)O)O)O)O)O)O)O)O)O
Structure:
CAS RN: 144260-36-6
CAS Name: (2-methoxy-3-octadecoxypropyl)-[2-(trimethylammonio)ethoxy]phosphinate
OPENEYE Name: (2-methoxy-3-octadecoxy-propyl)-[2-(trimethylammonio)ethoxy]phosphinate
IUPAC Name: (2-methoxy-3-octadecoxypropyl)-[2-(trimethylazaniumyl)ethoxy]phosphinate
SYSTEMATIC NAME: (2-methoxy-3-octadecoxy-propyl)-[2-(trimethylazaniumyl)ethoxy]phosphinate
MOLECULAR FORMULA: C27H58NO5P
MOLECULAR WEIGHT: 507.726881
SMILES: CCCCCCCCCCCCCCCCCCOCC(CP(=O)([O-])OCC[N+](C)(C)C)OC
Structure:
CAS RN: 144615-60-1
CAS Name: (2-methoxy-3-octadecoxypropyl)-[2-(trimethylammonio)ethoxy]phosphinate
OPENEYE Name: (2-methoxy-3-octadecoxy-propyl)-[2-(trimethylammonio)ethoxy]phosphinate
IUPAC Name: (2-methoxy-3-octadecoxypropyl)-[2-(trimethylazaniumyl)ethoxy]phosphinate
SYSTEMATIC NAME: (2-methoxy-3-octadecoxy-propyl)-[2-(trimethylazaniumyl)ethoxy]phosphinate
MOLECULAR FORMULA: C27H58NO5P
MOLECULAR WEIGHT: 507.726881
SMILES: CCCCCCCCCCCCCCCCCCOCC(CP(=O)([O-])OCC[N+](C)(C)C)OC
Structure:
CAS RN: 144260-35-5
CAS Name: (2-acetyloxy-3-octadecoxypropyl)-[2-(trimethylammonio)ethoxy]phosphinate
OPENEYE Name: (2-acetoxy-3-octadecoxy-propyl)-[2-(trimethylammonio)ethoxy]phosphinate
IUPAC Name: (2-acetyloxy-3-octadecoxypropyl)-[2-(trimethylazaniumyl)ethoxy]phosphinate
SYSTEMATIC NAME: (2-acetyloxy-3-octadecoxy-propyl)-[2-(trimethylazaniumyl)ethoxy]phosphinate
MOLECULAR FORMULA: C28H58NO6P
MOLECULAR WEIGHT: 535.736981
SMILES: CCCCCCCCCCCCCCCCCCOCC(CP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C
Structure:
CAS RN: 144236-70-4
CAS Name: 4-formamido-N-[5-[[[5-[[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propylamino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-1-methyl-2-pyrrolecarboxamide
OPENEYE Name: 4-formamido-N-[5-[[5-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide
IUPAC Name: 4-formamido-N-[5-[[5-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
SYSTEMATIC NAME: 4-formamido-N-[5-[[5-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide
MOLECULAR FORMULA: C40H42N10O5
MOLECULAR WEIGHT: 742.82548
SMILES: CC1=C2C(=C(C3=C1C=CN=C3NCCCNC(=O)C4=CC(=CN4C)NC(=O)C5=CC(=CN5C)NC(=O)C6=CC(=CN6C)NC=O)C)C7=C(N2)C=CC(=C7)OC
Structure:
CAS RN: 144210-49-1
CAS Name: 3-[3-(4-azidophenyl)sulfonyl-1-[(4-iodophenyl)methyl]-5-(2-quinolinylmethoxy)-2-indolyl]-2,2-dimethylpropanoic acid
OPENEYE Name: 3-[3-(4-azidophenyl)sulfonyl-1-[(4-iodophenyl)methyl]-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid
IUPAC Name: 3-[3-(4-azidophenyl)sulfonyl-1-[(4-iodophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
SYSTEMATIC NAME: 3-[3-(4-azidophenyl)sulfonyl-1-[(4-iodophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid
MOLECULAR FORMULA: C36H30IN5O5S
MOLECULAR WEIGHT: 771.62337
SMILES: CC(C)(CC1=C(C2=C(N1CC3=CC=C(C=C3)I)C=CC(=C2)OCC4=NC5=CC=CC=C5C=C4)S(=O)(=O)C6=CC=C(C=C6)N=[N+]=[N-])C(=O)O
Structure:
CAS RN: 144161-76-2
CAS Name: (3S)-3-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoic acid
OPENEYE Name: (3S)-3-[[2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3S)-3-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-3-[2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C23H32N8O7
MOLECULAR WEIGHT: 532.54958
SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)N
Structure:
CAS RN: 144108-31-6
CAS Name: 2-[[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-oxomethyl]amino]ethyl-trimethylammonium iodide
OPENEYE Name: 2-[[(3S,10R,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carbonyl]amino]ethyl-trimethyl-ammonium iodide
IUPAC Name: 2-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carbonyl]amino]ethyl-trimethylazanium iodide
SYSTEMATIC NAME: 2-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]carbonylamino]ethyl-trimethyl-azanium iodide
MOLECULAR FORMULA: C33H59IN2O
MOLECULAR WEIGHT: 626.73883
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)C(=O)NCC[N+](C)(C)C)C)C.[I-]
Structure:
CAS RN: 144092-66-0
CAS Name: 5-[3-[4-(2-methylphenyl)-1-piperazinyl]propyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole dihydrochloride
OPENEYE Name: 5-[3-[4-(o-tolyl)piperazin-1-yl]propyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole dihydrochloride
IUPAC Name: 5-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole dihydrochloride
SYSTEMATIC NAME: 5-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole dihydrochloride
MOLECULAR FORMULA: C28H39Cl2N3
MOLECULAR WEIGHT: 488.53536
SMILES: CC1=CC=CC=C1N2CCN(CC2)CCCN3C4=C(CCCCCC4)C5=CC=CC=C53.Cl.Cl
Structure:
CAS RN: 144092-65-9
CAS Name: 8-methoxy-2-(phenylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole hydrochloride
OPENEYE Name: 2-benzyl-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole hydrochloride
IUPAC Name: 2-benzyl-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole hydrochloride
SYSTEMATIC NAME: 8-methoxy-2-(phenylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole hydrochloride
MOLECULAR FORMULA: C19H21ClN2O
MOLECULAR WEIGHT: 328.83584
SMILES: COC1=CC2=C(C=C1)NC3=C2CN(CC3)CC4=CC=CC=C4.Cl
Structure:
CAS RN: 144092-64-8
CAS Name: 3,4-dimethyl-2-(thiophen-2-ylmethyl)-6-pyrano[2,3-c]pyrazolone
OPENEYE Name: 3,4-dimethyl-2-(2-thienylmethyl)pyrano[2,3-c]pyrazol-6-one
IUPAC Name: 3,4-dimethyl-2-(thiophen-2-ylmethyl)pyrano[2,3-c]pyrazol-6-one
SYSTEMATIC NAME: 3,4-dimethyl-2-(thiophen-2-ylmethyl)pyrano[2,3-c]pyrazol-6-one
MOLECULAR FORMULA: C13H12N2O2S
MOLECULAR WEIGHT: 260.31158
SMILES: CC1=CC(=O)OC2=NN(C(=C12)C)CC3=CC=CS3
Structure:
CAS RN: 144092-32-0
CAS Name: tetralithium naphthalene-1,4,5,8-tetracarboxylate
OPENEYE Name: tetralithium naphthalene-1,4,5,8-tetracarboxylate
IUPAC Name: tetralithium naphthalene-1,4,5,8-tetracarboxylate
SYSTEMATIC NAME: tetralithium naphthalene-1,4,5,8-tetracarboxylate
MOLECULAR FORMULA: C14H4Li4O8
MOLECULAR WEIGHT: 327.94076
SMILES: [Li+].[Li+].[Li+].[Li+].C1=CC(=C2C(=CC=C(C2=C1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-]
Structure:
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