CAS RN: 142013-44-3
CAS Name: 4-methylbenzenesulfonic acid; N-methyl-N-[(1R,2R)-2-(1-pyrrolidinyl)cyclohexyl]-4-(trifluoromethyl)benzamide
OPENEYE Name: 4-methylbenzenesulfonic acid; N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide
IUPAC Name: 4-methylbenzenesulfonic acid; N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide
SYSTEMATIC NAME: 4-methylbenzenesulfonic acid; N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide
MOLECULAR FORMULA: C26H33F3N2O4S
MOLECULAR WEIGHT: 526.61143
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)C3=CC=C(C=C3)C(F)(F)F
Structure:
CAS RN: 141979-04-6
CAS Name: N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-6-methyl-5-[[[3-methyl-1-oxo-1-[2-(2-pyridinyl)ethylamino]pentan-2-yl]amino]-oxomethyl]heptan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(1S,2S,4R)-1-(cyclohexylmethyl)-2-hydroxy-5-methyl-4-[[2-methyl-1-[2-(2-pyridyl)ethylcarbamoyl]butyl]carbamoyl]hexyl]carbamate
IUPAC Name: tert-butyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-6-methyl-5-[[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)pentan-2-yl]carbamoyl]heptan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S,3S,5R)-1-cyclohexyl-6-methyl-5-[[3-methyl-1-oxidanylidene-1-(2-pyridin-2-ylethylamino)pentan-2-yl]carbamoyl]-3-oxidanyl-heptan-2-yl]carbamate
MOLECULAR FORMULA: C33H56N4O5
MOLECULAR WEIGHT: 588.82154
SMILES: CCC(C)C(C(=O)NCCC1=CC=CC=N1)NC(=O)[C@H](C[C@@H]([C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)O)C(C)C
Structure:
CAS RN: 141901-74-8
CAS Name: 3-hydroxy-2-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid
OPENEYE Name: 3-hydroxy-2-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid
IUPAC Name: 3-hydroxy-2-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid
SYSTEMATIC NAME: 3-oxidanyl-2-(2-phenylphenyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid
MOLECULAR FORMULA: C22H17F3O3
MOLECULAR WEIGHT: 386.36379
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2C(C(C3=CC=C(C=C3)C(F)(F)F)O)C(=O)O
Structure:
CAS RN: 141890-86-0
CAS Name: 4-(3,5-dichloro-4-hydroxyanilino)-4-oxobutanoic acid
OPENEYE Name: 4-(3,5-dichloro-4-hydroxy-anilino)-4-oxo-butanoic acid
IUPAC Name: 4-(3,5-dichloro-4-hydroxyanilino)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C10H9Cl2NO4
MOLECULAR WEIGHT: 278.08876
SMILES: C1=C(C=C(C(=C1Cl)O)Cl)NC(=O)CCC(=O)O
Structure:
CAS RN: 141890-85-9
CAS Name: 1-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2,5-dione
OPENEYE Name: 1-(3,5-dichloro-4-hydroxy-phenyl)pyrrolidine-2,5-dione
IUPAC Name: 1-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C10H7Cl2NO3
MOLECULAR WEIGHT: 260.07348
SMILES: C1CC(=O)N(C1=O)C2=CC(=C(C(=C2)Cl)O)Cl
Structure:
CAS RN: 141890-75-7
CAS Name: 2-thiazolo[4,5-f]quinolinamine
OPENEYE Name: thiazolo[4,5-f]quinolin-2-amine
IUPAC Name: [1,3]thiazolo[4,5-f]quinolin-2-amine
SYSTEMATIC NAME: [1,3]thiazolo[4,5-f]quinolin-2-amine
MOLECULAR FORMULA: C10H7N3S
MOLECULAR WEIGHT: 201.24768
SMILES: C1=CC2=C(C=CC3=C2N=C(S3)N)N=C1
Structure:
CAS RN: 141890-70-2
CAS Name: (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-10-[[(2R,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]oxy]-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,
OPENEYE Name: O2-methyl O4a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-10-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-
IUPAC Name: 2-O-methyl 4a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-10-[(2R,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]oxy-
SYSTEMATIC NAME: O4a-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] O2-methyl (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-9-(hydroxymethyl)-10-[(2R,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
MOLECULAR FORMULA: C49H78O22
MOLECULAR WEIGHT: 1019.13042
SMILES: C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C)C)[C@H]2C1)C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C(=O)OC
Structure:
CAS RN: 141887-34-5
CAS Name: 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinecarboxylic acid
OPENEYE Name: 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
IUPAC Name: 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-[propyl-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
MOLECULAR FORMULA: C23H22N6O2
MOLECULAR WEIGHT: 414.45978
SMILES: CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C4=C(C=CC=N4)C(=O)O
Structure:
CAS RN: 55715-03-2
CAS Name: 4-(bromomethyl)-3-nitrobenzoic acid
OPENEYE Name: 4-(bromomethyl)-3-nitro-benzoic acid
IUPAC Name: 4-(bromomethyl)-3-nitrobenzoic acid
SYSTEMATIC NAME: 4-(bromomethyl)-3-nitro-benzoic acid
MOLECULAR FORMULA: C8H6BrNO4
MOLECULAR WEIGHT: 260.04154
SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr
Structure:
CAS RN: 141884-92-6
CAS Name: 4-(bromomethyl)-3-nitrobenzoic acid; pyrrolidine-2,5-dione
OPENEYE Name: 4-(bromomethyl)-3-nitro-benzoic acid; pyrrolidine-2,5-dione
IUPAC Name: 4-(bromomethyl)-3-nitrobenzoic acid; pyrrolidine-2,5-dione
SYSTEMATIC NAME: 4-(bromomethyl)-3-nitro-benzoic acid; pyrrolidine-2,5-dione
MOLECULAR FORMULA: C12H11BrN2O6
MOLECULAR WEIGHT: 359.12954
SMILES: C1CC(=O)NC1=O.C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr
Structure:
CAS RN: 141874-20-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H22ClN3
MOLECULAR WEIGHT: 291.81898
SMILES: CCCC1(CC2=CC=CC3=C2N1CC3)C4=NCCN4.Cl
Structure:
CAS RN: 141874-19-3
CAS Name: 1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)-4-oxo-3-quinolinecarboxylic acid
OPENEYE Name: 1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)-4-oxo-quinoline-3-carboxylic acid
IUPAC Name: 1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-cyclopropyl-6-fluoranyl-7-(4-hydroxyphenyl)-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C19H14FNO4
MOLECULAR WEIGHT: 339.317163
SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)C4=CC=C(C=C4)O)F)C(=O)O
Structure:
CAS RN: 141857-29-6
CAS Name: 3-hydroxy-2-(2-phenylphenyl)propanoic acid [4-(methylthio)phenyl] ester
OPENEYE Name: (4-methylsulfanylphenyl) 3-hydroxy-2-(2-phenylphenyl)propanoate
IUPAC Name: (4-methylsulfanylphenyl) 3-hydroxy-2-(2-phenylphenyl)propanoate
SYSTEMATIC NAME: (4-methylsulfanylphenyl) 3-oxidanyl-2-(2-phenylphenyl)propanoate
MOLECULAR FORMULA: C22H20O3S
MOLECULAR WEIGHT: 364.4574
SMILES: CSC1=CC=C(C=C1)OC(=O)C(CO)C2=CC=CC=C2C3=CC=CC=C3
Structure:
CAS RN: 141839-61-4
CAS Name: acetic acid [[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-amino-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopro
OPENEYE Name: [[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-aminopropanoyl]amino]-5-oxo-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino] acetate
IUPAC Name: [[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-aminopropanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino] acet
SYSTEMATIC NAME: [2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2R)-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]
MOLECULAR FORMULA: C47H61N13O10
MOLECULAR WEIGHT: 968.06834
SMILES: C[C@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)NOC(=O)C)N
Structure:
CAS RN: 141835-49-6
CAS Name: 4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxy-2-naphthalenecarboxylic acid
OPENEYE Name: 8-benzyloxy-4-[2-[methyl(2-phenylethyl)amino]-2-oxo-ethyl]naphthalene-2-carboxylic acid
IUPAC Name: 4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalene-2-carboxylic acid
SYSTEMATIC NAME: 4-[2-[methyl(2-phenylethyl)amino]-2-oxidanylidene-ethyl]-8-phenylmethoxy-naphthalene-2-carboxylic acid
MOLECULAR FORMULA: C29H27NO4
MOLECULAR WEIGHT: 453.52898
SMILES: CN(CCC1=CC=CC=C1)C(=O)CC2=C3C=CC=C(C3=CC(=C2)C(=O)O)OCC4=CC=CC=C4
Structure:
CAS RN: 141802-28-0
CAS Name: [(3aR,4R,6R,6aR)-4-(2,4-dioxo-1-pyrimidinyl)-1',3',5'-trinitro-6-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]yl]methyl dihydrogen phosphate
OPENEYE Name: [(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-1',3',5'-trinitro-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate
IUPAC Name: [(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(3aR,4R,6R,6aR)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-1',3',5'-trinitro-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C15H14N5O15P
MOLECULAR WEIGHT: 535.269921
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)OC4(O3)C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 141799-76-0
CAS Name: 1-butyl-3-[2-[3-(5-ethyl-4-phenyl-1-imidazolyl)propoxy]-6-methylphenyl]urea
OPENEYE Name: 1-butyl-3-[2-[3-(5-ethyl-4-phenyl-imidazol-1-yl)propoxy]-6-methyl-phenyl]urea
IUPAC Name: 1-butyl-3-[2-[3-(5-ethyl-4-phenylimidazol-1-yl)propoxy]-6-methylphenyl]urea
SYSTEMATIC NAME: 1-butyl-3-[2-[3-(5-ethyl-4-phenyl-imidazol-1-yl)propoxy]-6-methyl-phenyl]urea
MOLECULAR FORMULA: C26H34N4O2
MOLECULAR WEIGHT: 434.57376
SMILES: CCCCNC(=O)NC1=C(C=CC=C1OCCCN2C=NC(=C2CC)C3=CC=CC=C3)C
Structure:
CAS RN: 141794-49-2
CAS Name: 3,5-dichloro-4-[3-(2,6-dichloro-4-hydroxyphenoxy)-2,5-dimethoxyphenoxy]phenol
OPENEYE Name: 3,5-dichloro-4-[3-(2,6-dichloro-4-hydroxy-phenoxy)-2,5-dimethoxy-phenoxy]phenol
IUPAC Name: 3,5-dichloro-4-[3-(2,6-dichloro-4-hydroxyphenoxy)-2,5-dimethoxyphenoxy]phenol
SYSTEMATIC NAME: 4-[3-[2,6-bis(chloranyl)-4-oxidanyl-phenoxy]-2,5-dimethoxy-phenoxy]-3,5-bis(chloranyl)phenol
MOLECULAR FORMULA: C20H14Cl4O6
MOLECULAR WEIGHT: 492.13356
SMILES: COC1=CC(=C(C(=C1)OC2=C(C=C(C=C2Cl)O)Cl)OC)OC3=C(C=C(C=C3Cl)O)Cl
Structure:
CAS RN: 141788-28-5
CAS Name: calcium disodium fluoro-dioxido-oxophosphorane carbonate
OPENEYE Name: calcium disodium fluoro-dioxido-oxo-$l^{5}-phosphane carbonate
IUPAC Name: calcium disodium fluoro-dioxido-oxo-$l^{5}-phosphane carbonate
SYSTEMATIC NAME: calcium disodium fluoranyl-bis(oxidanidyl)-oxidanylidene-$l^{5}-phosphane carbonate
MOLECULAR FORMULA: CCaFNa2O6P
MOLECULAR WEIGHT: 244.036804
SMILES: C(=O)([O-])[O-].[O-]P(=O)([O-])F.[Na+].[Na+].[Ca+2]
Structure:
CAS RN: 141782-67-4
CAS Name: 3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid 2-(4-azido-3-iodophenyl)ethyl ester
OPENEYE Name: 2-(4-azido-3-iodo-phenyl)ethyl 3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
IUPAC Name: 2-(4-azido-3-iodophenyl)ethyl 3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
SYSTEMATIC NAME: 2-(4-azido-3-iodanyl-phenyl)ethyl 3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
MOLECULAR FORMULA: C23H24ClIN4O2
MOLECULAR WEIGHT: 550.81973
SMILES: CN1C2CCC1C(C(C2)C3=CC=C(C=C3)Cl)C(=O)OCCC4=CC(=C(C=C4)N=[N+]=[N-])I
Structure:
CAS RN: 141673-56-5
CAS Name: 2-[[2,4-dioxo-5-[[3-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]-1-pyrimidinyl]methoxy]ethyl dihydrogen phosphate
OPENEYE Name: 2-[[5-[[3-[(4-benzyloxyphenyl)methoxy]phenyl]methyl]-2,4-dioxo-pyrimidin-1-yl]methoxy]ethyl dihydrogen phosphate
IUPAC Name: 2-[[2,4-dioxo-5-[[3-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]pyrimidin-1-yl]methoxy]ethyl dihydrogen phosphate
SYSTEMATIC NAME: 2-[[2,4-bis(oxidanylidene)-5-[[3-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]pyrimidin-1-yl]methoxy]ethyl dihydrogen phosphate
MOLECULAR FORMULA: C28H29N2O9P
MOLECULAR WEIGHT: 568.511621
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)COC3=CC=CC(=C3)CC4=CN(C(=O)NC4=O)COCCOP(=O)(O)O
Structure:
CAS RN: 141474-82-0
CAS Name: 4-oxo-6-propyl-1-benzopyran-2-carboxylic acid
OPENEYE Name: 4-oxo-6-propyl-chromene-2-carboxylic acid
IUPAC Name: 4-oxo-6-propylchromene-2-carboxylic acid
SYSTEMATIC NAME: 4-oxidanylidene-6-propyl-chromene-2-carboxylic acid
MOLECULAR FORMULA: C13H12O4
MOLECULAR WEIGHT: 232.23198
SMILES: CCCC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O
Structure:
CAS RN: 141433-28-5
CAS Name: 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-[2-(1-oxotetradecoxy)ethyl]amino]ethyl-[2-(1-oxotetradecoxy)ethyl]amino]-1-oxoethyl]-(carboxymethyl)amino]acetic acid
OPENEYE Name: 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxo-ethyl]-(2-tetradecanoyloxyethyl)amino]ethyl-(2-tetradecanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid
IUPAC Name: 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-tetradecanoyloxyethyl)amino]ethyl-(2-tetradecanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid
SYSTEMATIC NAME: 2-[2-[2-[[2-[bis(2-hydroxy-2-oxoethyl)amino]-2-oxidanylidene-ethyl]-(2-tetradecanoyloxyethyl)amino]ethyl-(2-tetradecanoyloxyethyl)amino]ethanoyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
MOLECULAR FORMULA: C46H82N4O14
MOLECULAR WEIGHT: 915.16168
SMILES: CCCCCCCCCCCCCC(=O)OCCN(CCN(CCOC(=O)CCCCCCCCCCCCC)CC(=O)N(CC(=O)O)CC(=O)O)CC(=O)N(CC(=O)O)CC(=O)O
Structure:
CAS RN: 141434-36-8
CAS Name: (2S,3S,3aS,3bS,6aS,7aS)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol
OPENEYE Name: (2S,3S,3aS,3bS,6aS,7aS)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol
IUPAC Name: (2S,3S,3aS,3bS,6aS,7aS)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol
SYSTEMATIC NAME: (2S,3S,3aS,3bS,6aS,7aS)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol
MOLECULAR FORMULA: C15H26O3
MOLECULAR WEIGHT: 254.36514
SMILES: C[C@@H]1[C@H](C[C@]2([C@@]1([C@@H]3CC(C[C@@]3(C2)O)(C)C)C)O)O
Structure:
CAS RN: 141400-57-9
CAS Name: 2-(butyldisulfanyl)-1H-imidazole
OPENEYE Name: 2-(butyldisulfanyl)-1H-imidazole
IUPAC Name: 2-(butyldisulfanyl)-1H-imidazole
SYSTEMATIC NAME: 2-(butyldisulfanyl)-1H-imidazole
MOLECULAR FORMULA: C7H12N2S2
MOLECULAR WEIGHT: 188.31358
SMILES: CCCCSSC1=NC=CN1
Structure:
CAS RN: 141397-59-3
CAS Name: (2S)-5-amino-2-[[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanoic acid
OPENEYE Name: (2S)-5-amino-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanoic acid
IUPAC Name: (2S)-5-amino-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanoic acid
SYSTEMATIC NAME: (2S)-5-azanyl-2-[[4-[(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)methylamino]phenyl]carbonylamino]pentanoic acid
MOLECULAR FORMULA: C20H27N7O4
MOLECULAR WEIGHT: 429.47288
SMILES: C1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCCN)C(=O)O
Structure:
CAS RN: 141364-77-4
CAS Name: 3-methyl-4-[16-(4-methyl-2,5-dioxo-3-furanyl)hexadecyl]furan-2,5-dione
OPENEYE Name: 3-methyl-4-[16-(4-methyl-2,5-dioxo-3-furyl)hexadecyl]furan-2,5-dione
IUPAC Name: 3-methyl-4-[16-(4-methyl-2,5-dioxofuran-3-yl)hexadecyl]furan-2,5-dione
SYSTEMATIC NAME: 3-methyl-4-[16-[4-methyl-2,5-bis(oxidanylidene)furan-3-yl]hexadecyl]furan-2,5-dione
MOLECULAR FORMULA: C26H38O6
MOLECULAR WEIGHT: 446.57632
SMILES: CC1=C(C(=O)OC1=O)CCCCCCCCCCCCCCCCC2=C(C(=O)OC2=O)C
Structure:
CAS RN: 141364-75-2
CAS Name: (2S)-1-[[(2S)-2-aminohexyl]disulfanyl]-2-hexanamine
OPENEYE Name: (2S)-1-[[(2S)-2-aminohexyl]disulfanyl]hexan-2-amine
IUPAC Name: (2S)-1-[[(2S)-2-aminohexyl]disulfanyl]hexan-2-amine
SYSTEMATIC NAME: (2S)-1-[[(2S)-2-azanylhexyl]disulfanyl]hexan-2-amine
MOLECULAR FORMULA: C12H28N2S2
MOLECULAR WEIGHT: 264.49412
SMILES: CCCC[C@@H](CSSC[C@H](CCCC)N)N
Structure:
CAS RN: 141363-42-0
CAS Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]hexanoic acid
OPENEYE Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]hexanoic acid
IUPAC Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]hexanoic acid
MOLECULAR FORMULA: C39H71N15O7
MOLECULAR WEIGHT: 862.07734
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)N
Structure:
CAS RN: 141363-41-9
CAS Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]hexanoic ac
OPENEYE Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid
IUPAC Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoic aci
MOLECULAR FORMULA: C41H72N16O7
MOLECULAR WEIGHT: 901.11338
SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)N
Structure:
CAS RN: 141360-03-4
CAS Name: 4-[(3R,4S)-1-butyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-4-piperidinyl]-N,N-dimethylaniline dihydrochloride
OPENEYE Name: 4-[(3R,4S)-1-butyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-4-piperidyl]-N,N-dimethyl-aniline dihydrochloride
IUPAC Name: 4-[(3R,4S)-1-butyl-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-4-yl]-N,N-dimethylaniline dihydrochloride
SYSTEMATIC NAME: 4-[(3R,4S)-1-butyl-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-4-yl]-N,N-dimethyl-aniline dihydrochloride
MOLECULAR FORMULA: C25H35Cl2F3N2O
MOLECULAR WEIGHT: 507.45941
SMILES: CCCCN1CC[C@@H]([C@H](C1)COC2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)N(C)C.Cl.Cl
Structure:
CAS RN: 141357-52-0
CAS Name: (8S,9S,10R,11S,13S,14S,17S)-17-(3-fluoroprop-1-ynyl)-11,17-dihydroxy-6,10,13-trimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,11S,13S,14S,17S)-17-(3-fluoroprop-1-ynyl)-11,17-dihydroxy-6,10,13-trimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,11S,13S,14S,17S)-17-(3-fluoroprop-1-ynyl)-11,17-dihydroxy-6,10,13-trimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,11S,13S,14S,17S)-17-(3-fluoranylprop-1-ynyl)-6,10,13-trimethyl-11,17-bis(oxidanyl)-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C23H27FO3
MOLECULAR WEIGHT: 370.457083
SMILES: CC1=C[C@H]2[C@@H]3CC[C@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C#CCF)O
Structure:
CAS RN: 141345-10-0
CAS Name: (2R,3R,4S,5R)-2-[6-amino-2-(3-cyclopentylprop-1-ynyl)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2R,3R,4S,5R)-2-[6-amino-2-(3-cyclopentylprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3R,4S,5R)-2-[6-amino-2-(3-cyclopentylprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-[6-azanyl-2-(3-cyclopentylprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C18H23N5O4
MOLECULAR WEIGHT: 373.40632
SMILES: C1CCC(C1)CC#CC2=NC3=C(C(=N2)N)N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
Structure:
CAS RN: 141318-62-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H26N2O
MOLECULAR WEIGHT: 298.42254
SMILES: CCCN(CCC)[C@H]1CC2=CNC3=C2C(=C(C=C3)C(=O)C)C1
Structure:
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