CAS RN: 104061-09-8
CAS Name: 3-[[2-(4-azidophenyl)-2-oxoethyl]thio]-4-(trimethylammonio)butanoate
OPENEYE Name: 3-[2-(4-azidophenyl)-2-oxo-ethyl]sulfanyl-4-(trimethylammonio)butanoate
IUPAC Name: 3-[2-(4-azidophenyl)-2-oxoethyl]sulfanyl-4-(trimethylazaniumyl)butanoate
SYSTEMATIC NAME: 3-[2-(4-azidophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(trimethylazaniumyl)butanoate
MOLECULAR FORMULA: C15H20N4O3S
MOLECULAR WEIGHT: 336.4093
SMILES: C[N+](C)(C)CC(CC(=O)[O-])SCC(=O)C1=CC=C(C=C1)N=[N+]=[N-]
Structure:
CAS RN: 104060-12-0
CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl] ester O3-methyl ester
OPENEYE Name: O5-[2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: 5-O-[2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: O5-[2-[4-[2,3-bis(oxidanyl)propoxy]phenyl]ethyl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C27H30N2O9
MOLECULAR WEIGHT: 526.5351
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)OCC(CO)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
Structure:
CAS RN: 104057-02-5
CAS Name: 1-cyano-2-methyl-3-[2-[(1-methyl-2-imidazolyl)methylthio]ethyl]guanidine
OPENEYE Name: 1-cyano-2-methyl-3-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]guanidine
IUPAC Name: 1-cyano-2-methyl-3-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]guanidine
SYSTEMATIC NAME: 1-cyano-2-methyl-3-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]guanidine
MOLECULAR FORMULA: C10H16N6S
MOLECULAR WEIGHT: 252.33924
SMILES: CN=C(NCCSCC1=NC=CN1C)NC#N
Structure:
CAS RN: 104023-63-4
CAS Name: sodium (6R,7S)-3-[[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)thio]methyl]-8-oxo-7-[[1-(phenylmethyl)-4-pyridinylidene]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
OPENEYE Name: sodium (6R,7S)-7-[(1-benzyl-4-pyridylidene)amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name: sodium (6R,7S)-7-[(1-benzylpyridin-4-ylidene)amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: sodium (6R,7S)-3-[[2-methyl-5,6-bis(oxidanylidene)-1H-1,2,4-triazin-3-yl]sulfanylmethyl]-8-oxidanylidene-7-[[1-(phenylmethyl)pyridin-4-ylidene]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C24H21N6NaO5S2
MOLECULAR WEIGHT: 560.58051
SMILES: CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@H](C3=O)N=C4C=CN(C=C4)CC5=CC=CC=C5)SC2)C(=O)[O-].[Na+]
Structure:
CAS RN: 104015-14-7
CAS Name: 2-(phenylseleno)acetic acid (4-nitrophenyl) ester
OPENEYE Name: (4-nitrophenyl) 2-phenylselanylacetate
IUPAC Name: (4-nitrophenyl) 2-phenylselanylacetate
SYSTEMATIC NAME: (4-nitrophenyl) 2-phenylselanylethanoate
MOLECULAR FORMULA: C14H11NO4Se
MOLECULAR WEIGHT: 336.20144
SMILES: C1=CC=C(C=C1)[Se]CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 104007-80-9
CAS Name: 4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethylphenol
OPENEYE Name: 4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethyl-phenol
IUPAC Name: 4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethylphenol
SYSTEMATIC NAME: 4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethyl-phenol
MOLECULAR FORMULA: C18H19NO2
MOLECULAR WEIGHT: 281.34896
SMILES: CC1=CC(=CC(=C1O)C)C2=C(C3=C(N2)C=CC(=C3)OC)C
Structure:
CAS RN: 104004-96-8
CAS Name: (8S,11R,13S,14S)-17-hydroxy-13-methyl-11-[4-(methylamino)phenyl]-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,11R,13S,14S)-17-hydroxy-13-methyl-11-[4-(methylamino)phenyl]-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,11R,13S,14S)-17-hydroxy-13-methyl-11-[4-(methylamino)phenyl]-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,11R,13S,14S)-13-methyl-11-[4-(methylamino)phenyl]-17-oxidanyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C28H33NO2
MOLECULAR WEIGHT: 415.56712
SMILES: CC#CC1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)NC)C)O
Structure:
CAS RN: 104004-92-4
CAS Name: (8S,11R,13S,14S)-11-(4-aminophenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,11R,13S,14S)-11-(4-aminophenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,11R,13S,14S)-11-(4-aminophenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,11R,13S,14S)-11-(4-aminophenyl)-13-methyl-17-oxidanyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C27H31NO2
MOLECULAR WEIGHT: 401.54054
SMILES: CC#CC1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N)C)O
Structure:
CAS RN: 88184-17-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: CC1(C[C@H]2CC[C@H]([C@@]13[C@@H]2CC(=O)C3=C)C(=O)O)C
Structure:
CAS RN: 87095-03-2
CAS Name: (5R,6R)-3-[2-[[3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethylthio]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (5R,6R)-3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (5R,6R)-3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (5R,6R)-3-[2-[3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethylsulfanyl]-6-ethyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C20H31N3O7S
MOLECULAR WEIGHT: 457.54104
SMILES: CC[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O
Structure:
CAS RN: 86674-65-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H32O4
MOLECULAR WEIGHT: 336.46568
SMILES: C[C@@]12CCC(=O)[C@@]([C@H]1CC[C@H]3[C@]24CC[C@]([C@@H](C3)C4)(CO)O)(C)CO
Structure:
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