CAS RN: 22839-47-0
CAS Name: (3R)-3-amino-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
OPENEYE Name: (3R)-3-amino-4-[[(1R)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3R)-3-amino-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3R)-3-azanyl-4-[[(2R)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C14H18N2O5
MOLECULAR WEIGHT: 294.30312
SMILES: COC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC(=O)O)N
Structure:
CAS RN: 172964-81-7
CAS Name: (3R)-3-amino-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
OPENEYE Name: (3R)-3-amino-4-[[(1R)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3R)-3-amino-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3R)-3-azanyl-4-[[(2R)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C14H18N2O5
MOLECULAR WEIGHT: 294.30312
SMILES: COC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC(=O)O)N
Structure:
CAS RN: 53906-69-7
CAS Name: (3R)-3-amino-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
OPENEYE Name: (3R)-3-amino-4-[[(1R)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3R)-3-amino-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3R)-3-azanyl-4-[[(2R)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C14H18N2O5
MOLECULAR WEIGHT: 294.30312
SMILES: COC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC(=O)O)N
Structure:
CAS RN: 1483-07-4
CAS Name: (2S)-2-ammonio-3-(carbamoylamino)propanoate
OPENEYE Name: (2S)-2-azaniumyl-3-ureido-propanoate
IUPAC Name: (2S)-2-azaniumyl-3-(carbamoylamino)propanoate
SYSTEMATIC NAME: (2S)-3-(aminocarbonylamino)-2-azaniumyl-propanoate
MOLECULAR FORMULA: C4H9N3O3
MOLECULAR WEIGHT: 147.13256
SMILES: C([C@@H](C(=O)[O-])[NH3+])NC(=O)N
Structure:
CAS RN: 27262-48-2
CAS Name: (2S)-1-butyl-N-(2,6-dimethylphenyl)-2-piperidin-1-iumcarboxamide
OPENEYE Name: (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide
IUPAC Name: (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide
SYSTEMATIC NAME: (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide
MOLECULAR FORMULA: C18H29N2O+
MOLECULAR WEIGHT: 289.43566
SMILES: CCCC[NH+]1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C
Structure:
CAS RN: 91510-62-2
CAS Name: (2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxy-2-oxanecarboxylate
OPENEYE Name: (2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylate
IUPAC Name: (2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
SYSTEMATIC NAME: (2S,3R,4S,5R,6R)-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxylate
MOLECULAR FORMULA: C6H9O7-
MOLECULAR WEIGHT: 193.13146
SMILES: [C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)[O-])O)O
Structure:
CAS RN: 34522-32-2
CAS Name: (2S)-2-[[(1R)-1-carboxylatoethyl]ammonio]-5-(diaminomethylideneammonio)pentanoate
OPENEYE Name: (2S)-2-[[(1R)-1-carboxylatoethyl]ammonio]-5-(diaminomethyleneammonio)pentanoate
IUPAC Name: (2S)-2-[[(1R)-1-carboxylatoethyl]azaniumyl]-5-(diaminomethylideneazaniumyl)pentanoate
SYSTEMATIC NAME: (2S)-5-[bis(azanyl)methylideneazaniumyl]-2-[[(2R)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]azaniumyl]pentanoate
MOLECULAR FORMULA: C9H18N4O4
MOLECULAR WEIGHT: 246.26362
SMILES: C[C@H](C(=O)[O-])[NH2+][C@@H](CCC[NH+]=C(N)N)C(=O)[O-]
Structure:
CAS RN: 53308-83-1
CAS Name: (2S)-5-[[amino(methyliminio)methyl]amino]-2-ammoniopentanoate
OPENEYE Name: (2S)-5-[[amino(methyliminio)methyl]amino]-2-azaniumyl-pentanoate
IUPAC Name: (2S)-5-[[amino(methylazaniumylidene)methyl]amino]-2-azaniumylpentanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-5-[[azanyl(methylazaniumylidene)methyl]amino]pentanoate
MOLECULAR FORMULA: C7H17N4O2+
MOLECULAR WEIGHT: 189.23548
SMILES: C[NH+]=C(N)NCCC[C@@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 4104-45-4
CAS Name: 3-(methylthio)propylammonium
OPENEYE Name: 3-methylsulfanylpropylammonium
IUPAC Name: 3-methylsulfanylpropylazanium
SYSTEMATIC NAME: 3-methylsulfanylpropylazanium
MOLECULAR FORMULA: C4H12NS+
MOLECULAR WEIGHT: 106.20978
SMILES: CSCCC[NH3+]
Structure:
CAS RN: 70904-56-2
CAS Name: (2S)-2-[[(2S)-2-ammonio-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-(diaminomethylideneammonio)pentanoate
OPENEYE Name: (2S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethyleneammonio)pentanoate
IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneazaniumyl)pentanoate
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneazaniumyl]pentanoate
MOLECULAR FORMULA: C15H24N5O4+
MOLECULAR WEIGHT: 338.38216
SMILES: C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)[O-])[NH3+])O
Structure:
CAS RN: 10457-99-5
CAS Name: 3-oxo-4-(trimethylammonio)butanoate
OPENEYE Name: 3-oxo-4-(trimethylammonio)butanoate
IUPAC Name: 3-oxo-4-(trimethylazaniumyl)butanoate
SYSTEMATIC NAME: 3-oxidanylidene-4-(trimethylazaniumyl)butanoate
MOLECULAR FORMULA: C7H13NO3
MOLECULAR WEIGHT: 159.18302
SMILES: C[N+](C)(C)CC(=O)CC(=O)[O-]
Structure:
CAS RN: 692-04-6
CAS Name: (2S)-6-acetamido-2-ammoniohexanoate
OPENEYE Name: (2S)-6-acetamido-2-azaniumyl-hexanoate
IUPAC Name: (2S)-6-acetamido-2-azaniumylhexanoate
SYSTEMATIC NAME: (2S)-6-acetamido-2-azaniumyl-hexanoate
MOLECULAR FORMULA: C8H16N2O3
MOLECULAR WEIGHT: 188.22424
SMILES: CC(=O)NCCCC[C@@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 211814-16-3
CAS Name: N-cyclopropyl-4-oxanamine
OPENEYE Name: N-cyclopropyltetrahydropyran-4-amine
IUPAC Name: N-cyclopropyloxan-4-amine
SYSTEMATIC NAME: N-cyclopropyloxan-4-amine
MOLECULAR FORMULA: C8H15NO
MOLECULAR WEIGHT: 141.2108
SMILES: C1CC1NC2CCOCC2
Structure:
CAS RN: 220641-87-2
CAS Name: N-methyl-4-oxanamine
OPENEYE Name: N-methyltetrahydropyran-4-amine
IUPAC Name: N-methyloxan-4-amine
SYSTEMATIC NAME: N-methyloxan-4-amine
MOLECULAR FORMULA: C6H13NO
MOLECULAR WEIGHT: 115.17352
SMILES: CNC1CCOCC1
Structure:
CAS RN: 849021-16-5
CAS Name: 4-(4-bromophenyl)-1H-pyrazole
OPENEYE Name: 4-(4-bromophenyl)-1H-pyrazole
IUPAC Name: 4-(4-bromophenyl)-1H-pyrazole
SYSTEMATIC NAME: 4-(4-bromophenyl)-1H-pyrazole
MOLECULAR FORMULA: C9H7BrN2
MOLECULAR WEIGHT: 223.06928
SMILES: C1=CC(=CC=C1C2=CNN=C2)Br
Structure:
CAS RN: 76593-36-7
CAS Name: 6-chloro-4,5-dimethyl-3-pyridazinamine
OPENEYE Name: 6-chloro-4,5-dimethyl-pyridazin-3-amine
IUPAC Name: 6-chloro-4,5-dimethylpyridazin-3-amine
SYSTEMATIC NAME: 6-chloranyl-4,5-dimethyl-pyridazin-3-amine
MOLECULAR FORMULA: C6H8ClN3
MOLECULAR WEIGHT: 157.60082
SMILES: CC1=C(C(=NN=C1N)Cl)C
Structure:
CAS RN: 849021-02-9
CAS Name: 5-chloro-6-(4-chlorophenyl)-2-methyl-3-pyridazinone
OPENEYE Name: 5-chloro-6-(4-chlorophenyl)-2-methyl-pyridazin-3-one
IUPAC Name: 5-chloro-6-(4-chlorophenyl)-2-methylpyridazin-3-one
SYSTEMATIC NAME: 5-chloranyl-6-(4-chlorophenyl)-2-methyl-pyridazin-3-one
MOLECULAR FORMULA: C11H8Cl2N2O
MOLECULAR WEIGHT: 255.10002
SMILES: CN1C(=O)C=C(C(=N1)C2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 849021-00-7
CAS Name: 5-chloro-6-(3-chlorophenyl)-2-methyl-3-pyridazinone
OPENEYE Name: 5-chloro-6-(3-chlorophenyl)-2-methyl-pyridazin-3-one
IUPAC Name: 5-chloro-6-(3-chlorophenyl)-2-methylpyridazin-3-one
SYSTEMATIC NAME: 5-chloranyl-6-(3-chlorophenyl)-2-methyl-pyridazin-3-one
MOLECULAR FORMULA: C11H8Cl2N2O
MOLECULAR WEIGHT: 255.10002
SMILES: CN1C(=O)C=C(C(=N1)C2=CC(=CC=C2)Cl)Cl
Structure:
CAS RN: 725-14-4
CAS Name: 4-(4-methoxyphenyl)benzoate
OPENEYE Name: 4-(4-methoxyphenyl)benzoate
IUPAC Name: 4-(4-methoxyphenyl)benzoate
SYSTEMATIC NAME: 4-(4-methoxyphenyl)benzoate
MOLECULAR FORMULA: C14H11O3-
MOLECULAR WEIGHT: 227.23534
SMILES: COC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-]
Structure:
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