CAS RN: 1211592-84-5
CAS Name: 1-[(4-methoxyphenyl)methyl]-4-triazolecarbonitrile
OPENEYE Name: 1-[(4-methoxyphenyl)methyl]triazole-4-carbonitrile
IUPAC Name: 1-[(4-methoxyphenyl)methyl]triazole-4-carbonitrile
SYSTEMATIC NAME: 1-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carbonitrile
MOLECULAR FORMULA: C11H10N4O
MOLECULAR WEIGHT: 214.2233
SMILES: COC1=CC=C(C=C1)CN2C=C(N=N2)C#N
CAS RN: 449811-81-8
CAS Name: (1,5-dimethyl-4-pyrazolyl)methanamine hydrochloride
OPENEYE Name: (1,5-dimethylpyrazol-4-yl)methanamine hydrochloride
IUPAC Name: (1,5-dimethylpyrazol-4-yl)methanamine hydrochloride
SYSTEMATIC NAME: (1,5-dimethylpyrazol-4-yl)methanamine hydrochloride
MOLECULAR FORMULA: C6H12ClN3
MOLECULAR WEIGHT: 161.63258
SMILES: CC1=C(C=NN1C)CN.Cl
CAS RN: 825633-93-0
CAS Name: 5-iodo-2-(phenylmethyl)-3-pyridazinone
OPENEYE Name: 2-benzyl-5-iodo-pyridazin-3-one
IUPAC Name: 2-benzyl-5-iodopyridazin-3-one
SYSTEMATIC NAME: 5-iodanyl-2-(phenylmethyl)pyridazin-3-one
MOLECULAR FORMULA: C11H9IN2O
MOLECULAR WEIGHT: 312.10643
SMILES: C1=CC=C(C=C1)CN2C(=O)C=C(C=N2)I
CAS RN: 892492-27-2
CAS Name: 1-(5-amino-2-pyridinyl)-4-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 1-(5-amino-2-pyridyl)piperidine-4-carboxylate
IUPAC Name: tert-butyl 1-(5-aminopyridin-2-yl)piperidine-4-carboxylate
SYSTEMATIC NAME: tert-butyl 1-(5-azanylpyridin-2-yl)piperidine-4-carboxylate
MOLECULAR FORMULA: C15H23N3O2
MOLECULAR WEIGHT: 277.36202
SMILES: CC(C)(C)OC(=O)C1CCN(CC1)C2=NC=C(C=C2)N
CAS RN: 1240620-32-9
CAS Name: 4-bromo-2-[(4-methoxyphenyl)methoxy]pyridine
OPENEYE Name: 4-bromo-2-[(4-methoxyphenyl)methoxy]pyridine
IUPAC Name: 4-bromo-2-[(4-methoxyphenyl)methoxy]pyridine
SYSTEMATIC NAME: 4-bromanyl-2-[(4-methoxyphenyl)methoxy]pyridine
MOLECULAR FORMULA: C13H12BrNO2
MOLECULAR WEIGHT: 294.14388
SMILES: COC1=CC=C(C=C1)COC2=NC=CC(=C2)Br
CAS RN: 773884-24-5
CAS Name: [2-(phenylmethyl)-1H-indol-5-yl]methanamine
OPENEYE Name: (2-benzyl-1H-indol-5-yl)methanamine
IUPAC Name: (2-benzyl-1H-indol-5-yl)methanamine
SYSTEMATIC NAME: [2-(phenylmethyl)-1H-indol-5-yl]methanamine
MOLECULAR FORMULA: C16H16N2
MOLECULAR WEIGHT: 236.31164
SMILES: C1=CC=C(C=C1)CC2=CC3=C(N2)C=CC(=C3)CN
CAS RN: 179748-04-0
CAS Name: 2-(phenylmethyl)-1H-indole-5-carbonitrile
OPENEYE Name: 2-benzyl-1H-indole-5-carbonitrile
IUPAC Name: 2-benzyl-1H-indole-5-carbonitrile
SYSTEMATIC NAME: 2-(phenylmethyl)-1H-indole-5-carbonitrile
MOLECULAR FORMULA: C16H12N2
MOLECULAR WEIGHT: 232.27988
SMILES: C1=CC=C(C=C1)CC2=CC3=C(N2)C=CC(=C3)C#N
CAS RN: 873189-09-4
CAS Name: 6,6-dimethyl-3-methylsulfonyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid
OPENEYE Name: 6,6-dimethyl-3-methylsulfonyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid
IUPAC Name: 6,6-dimethyl-3-methylsulfonyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid
SYSTEMATIC NAME: 6,6-dimethyl-3-methylsulfonyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylic acid
MOLECULAR FORMULA: C12H14O5S2
MOLECULAR WEIGHT: 302.36656
SMILES: CC1(CC2=C(SC(=C2C(=O)C1)S(=O)(=O)C)C(=O)O)C
CAS RN: 1133104-47-8
CAS Name: sodium 4-(4-bromophenyl)-2-[[(4-fluorophenyl)-oxomethyl]amino]-3-thiophenecarboxylate
OPENEYE Name: sodium 4-(4-bromophenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate
IUPAC Name: sodium 4-(4-bromophenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate
SYSTEMATIC NAME: sodium 4-(4-bromophenyl)-2-[(4-fluorophenyl)carbonylamino]thiophene-3-carboxylate
MOLECULAR FORMULA: C18H10BrFNNaO3S
MOLECULAR WEIGHT: 442.234073
SMILES: C1=CC(=CC=C1C2=CSC(=C2C(=O)[O-])NC(=O)C3=CC=C(C=C3)F)Br.[Na+]
CAS RN: 1235567-12-0
CAS Name: 3-(4-methylsulfonylphenoxy)-5-(trifluoromethylsulfonyloxy)benzoic acid methyl ester
OPENEYE Name: methyl 3-(4-methylsulfonylphenoxy)-5-(trifluoromethylsulfonyloxy)benzoate
IUPAC Name: methyl 3-(4-methylsulfonylphenoxy)-5-(trifluoromethylsulfonyloxy)benzoate
SYSTEMATIC NAME: methyl 3-(4-methylsulfonylphenoxy)-5-(trifluoromethylsulfonyloxy)benzoate
MOLECULAR FORMULA: C16H13F3O8S2
MOLECULAR WEIGHT: 454.39483
SMILES: COC(=O)C1=CC(=CC(=C1)OS(=O)(=O)C(F)(F)F)OC2=CC=C(C=C2)S(=O)(=O)C
CAS RN: 752242-45-8
CAS Name: 3-hydroxy-5-(4-methylsulfonylphenoxy)benzoic acid methyl ester
OPENEYE Name: methyl 3-hydroxy-5-(4-methylsulfonylphenoxy)benzoate
IUPAC Name: methyl 3-hydroxy-5-(4-methylsulfonylphenoxy)benzoate
SYSTEMATIC NAME: methyl 3-(4-methylsulfonylphenoxy)-5-oxidanyl-benzoate
MOLECULAR FORMULA: C15H14O6S
MOLECULAR WEIGHT: 322.33306
SMILES: COC(=O)C1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)O
CAS RN: 956100-68-8
CAS Name: 2-chloro-8-methoxy-7-methylquinazoline
OPENEYE Name: 2-chloro-8-methoxy-7-methyl-quinazoline
IUPAC Name: 2-chloro-8-methoxy-7-methylquinazoline
SYSTEMATIC NAME: 2-chloranyl-8-methoxy-7-methyl-quinazoline
MOLECULAR FORMULA: C10H9ClN2O
MOLECULAR WEIGHT: 208.64426
SMILES: CC1=C(C2=NC(=NC=C2C=C1)Cl)OC
CAS RN: 956100-67-7
CAS Name: 2,4-dichloro-8-methoxy-7-methylquinazoline
OPENEYE Name: 2,4-dichloro-8-methoxy-7-methyl-quinazoline
IUPAC Name: 2,4-dichloro-8-methoxy-7-methylquinazoline
SYSTEMATIC NAME: 2,4-bis(chloranyl)-8-methoxy-7-methyl-quinazoline
MOLECULAR FORMULA: C10H8Cl2N2O
MOLECULAR WEIGHT: 243.08932
SMILES: CC1=C(C2=C(C=C1)C(=NC(=N2)Cl)Cl)OC
CAS RN: 1071548-79-2
CAS Name: 1-(2-naphthalenylmethyl)piperazine hydrochloride
OPENEYE Name: 1-(2-naphthylmethyl)piperazine hydrochloride
IUPAC Name: 1-(naphthalen-2-ylmethyl)piperazine hydrochloride
SYSTEMATIC NAME: 1-(naphthalen-2-ylmethyl)piperazine hydrochloride
MOLECULAR FORMULA: C15H19ClN2
MOLECULAR WEIGHT: 262.77776
SMILES: C1CN(CCN1)CC2=CC3=CC=CC=C3C=C2.Cl
CAS RN: 1233025-87-0
CAS Name: 2-[4-(1-piperidinyl)-6-quinazolinyl]acetic acid
OPENEYE Name: 2-[4-(1-piperidyl)quinazolin-6-yl]acetic acid
IUPAC Name: 2-(4-piperidin-1-ylquinazolin-6-yl)acetic acid
SYSTEMATIC NAME: 2-(4-piperidin-1-ylquinazolin-6-yl)ethanoic acid
MOLECULAR FORMULA: C15H17N3O2
MOLECULAR WEIGHT: 271.31438
SMILES: C1CCN(CC1)C2=NC=NC3=C2C=C(C=C3)CC(=O)O
CAS RN: 1211593-80-4
CAS Name: N-[2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethyl]carbamate
IUPAC Name: tert-butyl N-[2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethyl]carbamate
MOLECULAR FORMULA: C14H21N3O2
MOLECULAR WEIGHT: 263.33544
SMILES: CC(C)(C)OC(=O)NCCC1=NC2=C(CCN2)C=C1
CAS RN: 1233026-59-9
CAS Name: N-ethyl-4-(3-pyrrolidinyl)-2-pyrimidinamine
OPENEYE Name: N-ethyl-4-pyrrolidin-3-yl-pyrimidin-2-amine
IUPAC Name: N-ethyl-4-pyrrolidin-3-ylpyrimidin-2-amine
SYSTEMATIC NAME: N-ethyl-4-pyrrolidin-3-yl-pyrimidin-2-amine
MOLECULAR FORMULA: C10H16N4
MOLECULAR WEIGHT: 192.26084
SMILES: CCNC1=NC=CC(=N1)C2CCNC2
CAS RN: 1243130-98-4
CAS Name: 2-[(2-bromo-5-fluorophenyl)methyl]-1-cyclohexanone
OPENEYE Name: 2-[(2-bromo-5-fluoro-phenyl)methyl]cyclohexanone
IUPAC Name: 2-[(2-bromo-5-fluorophenyl)methyl]cyclohexan-1-one
SYSTEMATIC NAME: 2-[(2-bromanyl-5-fluoranyl-phenyl)methyl]cyclohexan-1-one
MOLECULAR FORMULA: C13H14BrFO
MOLECULAR WEIGHT: 285.152063
SMILES: C1CCC(=O)C(C1)CC2=C(C=CC(=C2)F)Br
CAS RN: 1021436-47-4
CAS Name: 5-(chloromethyl)-3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole
OPENEYE Name: 5-(chloromethyl)-3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole
IUPAC Name: 5-(chloromethyl)-3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-(chloromethyl)-3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole
MOLECULAR FORMULA: C12H10ClFN2O
MOLECULAR WEIGHT: 252.672003
SMILES: C1CC1(C2=CC=C(C=C2)F)C3=NOC(=N3)CCl
CAS RN: 150668-81-8
CAS Name: 3-propan-2-yl-4-piperidinone
OPENEYE Name: 3-isopropylpiperidin-4-one
IUPAC Name: 3-propan-2-ylpiperidin-4-one
SYSTEMATIC NAME: 3-propan-2-ylpiperidin-4-one
MOLECULAR FORMULA: C8H15NO
MOLECULAR WEIGHT: 141.2108
SMILES: CC(C)C1CNCCC1=O
CAS RN: 917251-86-6
CAS Name: 8-bromo-3-(trifluoromethyl)quinoline
OPENEYE Name: 8-bromo-3-(trifluoromethyl)quinoline
IUPAC Name: 8-bromo-3-(trifluoromethyl)quinoline
SYSTEMATIC NAME: 8-bromanyl-3-(trifluoromethyl)quinoline
MOLECULAR FORMULA: C10H5BrF3N
MOLECULAR WEIGHT: 276.05261
SMILES: C1=CC2=CC(=CN=C2C(=C1)Br)C(F)(F)F
CAS RN: 91507-30-1
CAS Name: 6-chloro-5-hydroxy-3-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 6-chloro-5-hydroxy-pyridine-3-carboxylate
IUPAC Name: methyl 6-chloro-5-hydroxypyridine-3-carboxylate
SYSTEMATIC NAME: methyl 6-chloranyl-5-oxidanyl-pyridine-3-carboxylate
MOLECULAR FORMULA: C7H6ClNO3
MOLECULAR WEIGHT: 187.58044
SMILES: COC(=O)C1=CC(=C(N=C1)Cl)O
CAS RN: 68160-46-3
CAS Name: 5-chloro-2-oxo-3H-pyridine-6-carboxylic acid
OPENEYE Name: 5-chloro-2-oxo-3H-pyridine-6-carboxylic acid
IUPAC Name: 5-chloro-2-oxo-3H-pyridine-6-carboxylic acid
SYSTEMATIC NAME: 5-chloranyl-2-oxidanylidene-3H-pyridine-6-carboxylic acid
MOLECULAR FORMULA: C6H4ClNO3
MOLECULAR WEIGHT: 173.55386
SMILES: C1C=C(C(=NC1=O)C(=O)O)Cl
CAS RN: 181256-18-8
CAS Name: 3-bromo-4-chloropyridine hydrochloride
OPENEYE Name: 3-bromo-4-chloro-pyridine hydrochloride
IUPAC Name: 3-bromo-4-chloropyridine hydrochloride
SYSTEMATIC NAME: 3-bromanyl-4-chloranyl-pyridine hydrochloride
MOLECULAR FORMULA: C5H4BrCl2N
MOLECULAR WEIGHT: 228.90196
SMILES: C1=CN=CC(=C1Cl)Br.Cl
CAS RN: 1211596-29-0
CAS Name: 3,5-difluoro-4-(hydroxymethyl)benzoic acid
OPENEYE Name: 3,5-difluoro-4-(hydroxymethyl)benzoic acid
IUPAC Name: 3,5-difluoro-4-(hydroxymethyl)benzoic acid
SYSTEMATIC NAME: 3,5-bis(fluoranyl)-4-(hydroxymethyl)benzoic acid
MOLECULAR FORMULA: C8H6F2O3
MOLECULAR WEIGHT: 188.128246
SMILES: C1=C(C=C(C(=C1F)CO)F)C(=O)O
CAS RN: 228421-83-8
CAS Name: 3,5-difluoro-4-(hydroxymethyl)benzonitrile
OPENEYE Name: 3,5-difluoro-4-(hydroxymethyl)benzonitrile
IUPAC Name: 3,5-difluoro-4-(hydroxymethyl)benzonitrile
SYSTEMATIC NAME: 3,5-bis(fluoranyl)-4-(hydroxymethyl)benzenecarbonitrile
MOLECULAR FORMULA: C8H5F2NO
MOLECULAR WEIGHT: 169.128206
SMILES: C1=C(C=C(C(=C1F)CO)F)C#N
CAS RN: 857293-81-3
CAS Name: 1-bromo-4-(2-fluoropropan-2-yl)benzene
OPENEYE Name: 1-bromo-4-(1-fluoro-1-methyl-ethyl)benzene
IUPAC Name: 1-bromo-4-(2-fluoropropan-2-yl)benzene
SYSTEMATIC NAME: 1-bromanyl-4-(2-fluoranylpropan-2-yl)benzene
MOLECULAR FORMULA: C9H10BrF
MOLECULAR WEIGHT: 217.078103
SMILES: CC(C)(C1=CC=C(C=C1)Br)F
CAS RN: 945610-03-7
CAS Name: 2-fluoro-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]acetic acid
OPENEYE Name: 2-(4-tert-butoxycarbonylphenyl)-2-fluoro-acetic acid
IUPAC Name: 2-fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid
SYSTEMATIC NAME: 2-fluoranyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C13H15FO4
MOLECULAR WEIGHT: 254.254203
SMILES: CC(C)(C)OC(=O)C1=CC=C(C=C1)C(C(=O)O)F
CAS RN: 1211594-71-6
CAS Name: 2,2-difluoro-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]acetic acid
OPENEYE Name: 2-(4-tert-butoxycarbonylphenyl)-2,2-difluoro-acetic acid
IUPAC Name: 2,2-difluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid
SYSTEMATIC NAME: 2,2-bis(fluoranyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C13H14F2O4
MOLECULAR WEIGHT: 272.244666
SMILES: CC(C)(C)OC(=O)C1=CC=C(C=C1)C(C(=O)O)(F)F
CAS RN: 317829-73-5
CAS Name: 3-acetylbenzoic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-acetylbenzoate
IUPAC Name: tert-butyl 3-acetylbenzoate
SYSTEMATIC NAME: tert-butyl 3-ethanoylbenzoate
MOLECULAR FORMULA: C13H16O3
MOLECULAR WEIGHT: 220.26434
SMILES: CC(=O)C1=CC(=CC=C1)C(=O)OC(C)(C)C
CAS RN: 1234846-44-6
CAS Name: 3-(4-aminophenyl)-2-methylpropanoic acid ethyl ester
OPENEYE Name: ethyl 3-(4-aminophenyl)-2-methyl-propanoate
IUPAC Name: ethyl 3-(4-aminophenyl)-2-methylpropanoate
SYSTEMATIC NAME: ethyl 3-(4-aminophenyl)-2-methyl-propanoate
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CCOC(=O)C(C)CC1=CC=C(C=C1)N
CAS RN: 1187930-24-0
CAS Name: 5-fluoro-2-methylbenzenecarboximidamide hydrochloride
OPENEYE Name: 5-fluoro-2-methyl-benzamidine hydrochloride
IUPAC Name: 5-fluoro-2-methylbenzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 5-fluoranyl-2-methyl-benzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C8H10ClFN2
MOLECULAR WEIGHT: 188.629803
SMILES: CC1=C(C=C(C=C1)F)C(=N)N.Cl
CAS RN: 99548-72-8
CAS Name: 3-bromo-2-ethylbenzoic acid
OPENEYE Name: 3-bromo-2-ethyl-benzoic acid
IUPAC Name: 3-bromo-2-ethylbenzoic acid
SYSTEMATIC NAME: 3-bromanyl-2-ethyl-benzoic acid
MOLECULAR FORMULA: C9H9BrO2
MOLECULAR WEIGHT: 229.07056
SMILES: CCC1=C(C=CC=C1Br)C(=O)O
CAS RN: 674793-32-9
CAS Name: 5-chloro-2-fluorobenzenecarboximidamide hydrochloride
OPENEYE Name: 5-chloro-2-fluoro-benzamidine hydrochloride
IUPAC Name: 5-chloro-2-fluorobenzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 5-chloranyl-2-fluoranyl-benzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C7H7Cl2FN2
MOLECULAR WEIGHT: 209.048283
SMILES: C1=CC(=C(C=C1Cl)C(=N)N)F.Cl
CAS RN: 850173-95-4
CAS Name: N,N-diethyl-4-(5-hydroxy-4-spiro[1-benzopyran-2,4'-piperidine]yl)benzamide hydrochloride
OPENEYE Name: N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzamide hydrochloride
IUPAC Name: N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzamide hydrochloride
SYSTEMATIC NAME: N,N-diethyl-4-(5-oxidanylspiro[chromene-2,4'-piperidine]-4-yl)benzamide hydrochloride
MOLECULAR FORMULA: C24H29ClN2O3
MOLECULAR WEIGHT: 428.95166
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)C2=CC3(CCNCC3)OC4=C2C(=CC=C4)O.Cl
CAS RN: 50588-42-6
CAS Name: acetic acid [(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C21H30O2
MOLECULAR WEIGHT: 314.4617
SMILES: CC(=O)OC1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC=CC4)C)C
CAS RN: 105107-84-4
CAS Name: (2R,4R)-4-(phenylthio)-2-pyrrolidinecarboxylic acid hydrochloride
OPENEYE Name: (2R,4R)-4-phenylsulfanylpyrrolidine-2-carboxylic acid hydrochloride
IUPAC Name: (2R,4R)-4-phenylsulfanylpyrrolidine-2-carboxylic acid hydrochloride
SYSTEMATIC NAME: (2R,4R)-4-phenylsulfanylpyrrolidine-2-carboxylic acid hydrochloride
MOLECULAR FORMULA: C11H14ClNO2S
MOLECULAR WEIGHT: 259.75236
SMILES: C1[C@H](CN[C@H]1C(=O)O)SC2=CC=CC=C2.Cl
CAS RN: 81938-43-4
CAS Name: calcium (2R,4R)-1-[(2S)-3-(benzoylthio)-2-methyl-1-oxopropyl]-4-(phenylthio)-2-pyrrolidinecarboxylate
OPENEYE Name: calcium (2R,4R)-1-[(2S)-3-benzoylsulfanyl-2-methyl-propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylate
IUPAC Name: calcium (2R,4R)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: calcium (2R,4R)-1-[(2S)-2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C44H44CaN2O8S4
MOLECULAR WEIGHT: 897.16676
SMILES: C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)N2C[C@@H](C[C@@H]2C(=O)[O-])SC3=CC=CC=C3.C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)N2C[C@@H](C[C@@H]2C(=O)[O-])SC3=CC=CC=C3.[Ca+2]
CAS RN: 1037206-68-0
CAS Name: (Z)-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxyimino-oxido-(1-pyrrolidinyl)ammonium
OPENEYE Name: (Z)-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyimino-oxido-pyrrolidin-1-yl-ammonium
IUPAC Name: (Z)-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyimino-oxido-pyrrolidin-1-ylazanium
SYSTEMATIC NAME: (Z)-[(2S,4R,5S)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxyimino-oxidanidyl-pyrrolidin-1-yl-azanium
MOLECULAR FORMULA: C12H22N4O7
MOLECULAR WEIGHT: 334.32568
SMILES: CC(=O)NC1[C@H]([C@@H](C(O[C@H]1O/N=[N+](/N2CCCC2)\[O-])CO)O)O
CAS RN: 1037206-65-7
CAS Name: (Z)-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxyimino-(diethylamino)-oxidoammonium
OPENEYE Name: (Z)-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyimino-(diethylamino)-oxido-ammonium
IUPAC Name: (Z)-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyimino-(diethylamino)-oxidoazanium
SYSTEMATIC NAME: (Z)-[(2S,4R,5S)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxyimino-(diethylamino)-oxidanidyl-azanium
MOLECULAR FORMULA: C12H24N4O7
MOLECULAR WEIGHT: 336.34156
SMILES: CCN(CC)/[N+](=N/O[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)NC(=O)C)/[O-]
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