CAS RN: 41459-42-1
CAS Name: 3-bromo-2-(bromomethyl)propanoate
OPENEYE Name: 3-bromo-2-(bromomethyl)propanoate
IUPAC Name: 3-bromo-2-(bromomethyl)propanoate
SYSTEMATIC NAME: 3-bromanyl-2-(bromomethyl)propanoate
MOLECULAR FORMULA: C4H5Br2O2-
MOLECULAR WEIGHT: 244.8893
SMILES: C(C(CBr)C(=O)[O-])Br
Structure:
CAS RN: 64491-68-5
CAS Name: (2S)-2-(methoxymethyl)oxirane
OPENEYE Name: (2S)-2-(methoxymethyl)oxirane
IUPAC Name: (2S)-2-(methoxymethyl)oxirane
SYSTEMATIC NAME: (2S)-2-(methoxymethyl)oxirane
MOLECULAR FORMULA: C4H8O2
MOLECULAR WEIGHT: 88.10512
SMILES: COC[C@@H]1CO1
Structure:
CAS RN: 5332-66-1
CAS Name: (2R)-2-[(3-nitrophenoxy)methyl]oxirane
OPENEYE Name: (2R)-2-[(3-nitrophenoxy)methyl]oxirane
IUPAC Name: (2R)-2-[(3-nitrophenoxy)methyl]oxirane
SYSTEMATIC NAME: (2R)-2-[(3-nitrophenoxy)methyl]oxirane
MOLECULAR FORMULA: C9H9NO4
MOLECULAR WEIGHT: 195.17206
SMILES: C1[C@@H](O1)COC2=CC=CC(=C2)[N+](=O)[O-]
Structure:
CAS RN: 3893-23-0
CAS Name: (2S)-2-cyclohexyl-2-phenylacetonitrile
OPENEYE Name: (2S)-2-cyclohexyl-2-phenyl-acetonitrile
IUPAC Name: (2S)-2-cyclohexyl-2-phenylacetonitrile
SYSTEMATIC NAME: (2S)-2-cyclohexyl-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C14H17N
MOLECULAR WEIGHT: 199.29148
SMILES: C1CCC(CC1)[C@H](C#N)C2=CC=CC=C2
Structure:
CAS RN: 7474-05-7
CAS Name: (2R)-2-chloropropanoate
OPENEYE Name: (2R)-2-chloropropanoate
IUPAC Name: (2R)-2-chloropropanoate
SYSTEMATIC NAME: (2R)-2-chloranylpropanoate
MOLECULAR FORMULA: C3H4ClO2-
MOLECULAR WEIGHT: 107.51566
SMILES: C[C@H](C(=O)[O-])Cl
Structure:
CAS RN: 229305-39-9
CAS Name: (2R)-2-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
OPENEYE Name: (2R)-2-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (2R)-2-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-5-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C16H19N3O5
MOLECULAR WEIGHT: 333.33916
SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)N
Structure:
CAS RN: 115388-32-4
CAS Name: 2-[4-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]butyl]isoindole-1,3-dione
OPENEYE Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]isoindoline-1,3-dione
IUPAC Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione
MOLECULAR FORMULA: C23H28N3O3+
MOLECULAR WEIGHT: 394.48672
SMILES: COC1=CC=CC=C1N2CC[NH+](CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 584-85-0
CAS Name: (2S)-2-[(3-ammonio-1-oxopropyl)amino]-3-(3-methyl-4-imidazolyl)propanoate
OPENEYE Name: (2S)-2-(3-azaniumylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoate
IUPAC Name: (2S)-2-(3-azaniumylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoate
SYSTEMATIC NAME: (2S)-2-(3-azaniumylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoate
MOLECULAR FORMULA: C10H16N4O3
MOLECULAR WEIGHT: 240.25904
SMILES: CN1C=NC=C1C[C@@H](C(=O)[O-])NC(=O)CC[NH3+]
Structure:
CAS RN: 13204-98-3
CAS Name: (2S,5S)-2,6-diammonio-5-hydroxyhexanoate
OPENEYE Name: (2S,5S)-2,6-bis(azaniumyl)-5-hydroxy-hexanoate
IUPAC Name: (2S,5S)-2,6-bis(azaniumyl)-5-hydroxyhexanoate
SYSTEMATIC NAME: (2S,5S)-2,6-bis(azaniumyl)-5-oxidanyl-hexanoate
MOLECULAR FORMULA: C6H15N2O3+
MOLECULAR WEIGHT: 163.1949
SMILES: C(C[C@@H](C(=O)[O-])[NH3+])[C@@H](C[NH3+])O
Structure:
CAS RN: 923-16-0
CAS Name: (2R)-2-[[(2R)-2-ammonio-1-oxopropyl]amino]propanoate
OPENEYE Name: (2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]propanoate
IUPAC Name: (2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]propanoate
SYSTEMATIC NAME: (2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]propanoate
MOLECULAR FORMULA: C6H12N2O3
MOLECULAR WEIGHT: 160.17108
SMILES: C[C@H](C(=O)N[C@H](C)C(=O)[O-])[NH3+]
Structure:
CAS RN: 4272-74-6
CAS Name: [(5S)-7-chloro-5-[(4-methylphenyl)sulfonylamino]-6-oxoheptyl]ammonium
OPENEYE Name: [(5S)-7-chloro-6-oxo-5-(p-tolylsulfonylamino)heptyl]ammonium
IUPAC Name: [(5S)-7-chloro-5-[(4-methylphenyl)sulfonylamino]-6-oxoheptyl]azanium
SYSTEMATIC NAME: [(5S)-7-chloranyl-5-[(4-methylphenyl)sulfonylamino]-6-oxidanylidene-heptyl]azanium
MOLECULAR FORMULA: C14H22ClN2O3S+
MOLECULAR WEIGHT: 333.85408
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)CCl
Structure:
CAS RN: 56-89-3
CAS Name: (2R)-2-ammonio-3-[[(2R)-2-ammonio-2-carboxylatoethyl]disulfanyl]propanoate
OPENEYE Name: (2R)-2-azaniumyl-3-[[(2R)-2-azaniumyl-2-carboxylato-ethyl]disulfanyl]propanoate
IUPAC Name: (2R)-2-azaniumyl-3-[[(2R)-2-azaniumyl-2-carboxylatoethyl]disulfanyl]propanoate
SYSTEMATIC NAME: (2R)-2-azaniumyl-3-[[(2R)-2-azaniumyl-3-oxidanidyl-3-oxidanylidene-propyl]disulfanyl]propanoate
MOLECULAR FORMULA: C6H12N2O4S2
MOLECULAR WEIGHT: 240.30048
SMILES: C([C@@H](C(=O)[O-])[NH3+])SSC[C@@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 5959-95-5
CAS Name: (2R)-5-amino-2-ammonio-5-oxopentanoate
OPENEYE Name: (2R)-5-amino-2-azaniumyl-5-oxo-pentanoate
IUPAC Name: (2R)-5-amino-2-azaniumyl-5-oxopentanoate
SYSTEMATIC NAME: (2R)-2-azaniumyl-5-azanyl-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C5H10N2O3
MOLECULAR WEIGHT: 146.1445
SMILES: C(CC(=O)N)[C@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 940-69-2
CAS Name: 5-[(3R)-3-dithiolanyl]pentanamide
OPENEYE Name: 5-[(3R)-dithiolan-3-yl]pentanamide
IUPAC Name: 5-[(3R)-dithiolan-3-yl]pentanamide
SYSTEMATIC NAME: 5-[(3R)-1,2-dithiolan-3-yl]pentanamide
MOLECULAR FORMULA: C8H15NOS2
MOLECULAR WEIGHT: 205.3408
SMILES: C1CSS[C@@H]1CCCCC(=O)N
Structure:
CAS RN: 70-47-3
CAS Name: (2S)-4-amino-2-ammonio-4-oxobutanoate
OPENEYE Name: (2S)-4-amino-2-azaniumyl-4-oxo-butanoate
IUPAC Name: (2S)-4-amino-2-azaniumyl-4-oxobutanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-4-azanyl-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C4H8N2O3
MOLECULAR WEIGHT: 132.11792
SMILES: C([C@@H](C(=O)[O-])[NH3+])C(=O)N
Structure:
CAS RN: 3184-13-2
CAS Name: (2S)-2,5-diammoniopentanoate
OPENEYE Name: (2S)-2,5-bis(azaniumyl)pentanoate
IUPAC Name: (2S)-2,5-bis(azaniumyl)pentanoate
SYSTEMATIC NAME: (2S)-2,5-bis(azaniumyl)pentanoate
MOLECULAR FORMULA: C5H13N2O2+
MOLECULAR WEIGHT: 133.16892
SMILES: C(C[C@@H](C(=O)[O-])[NH3+])C[NH3+]
Structure:
CAS RN: 56-85-9
CAS Name: (2S)-5-amino-2-ammonio-5-oxopentanoate
OPENEYE Name: (2S)-5-amino-2-azaniumyl-5-oxo-pentanoate
IUPAC Name: (2S)-5-amino-2-azaniumyl-5-oxopentanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-5-azanyl-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C5H10N2O3
MOLECULAR WEIGHT: 146.1445
SMILES: C(CC(=O)N)[C@@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 23635-14-5
CAS Name: (4S)-4-(1-methylethenyl)-1-cyclohexenecarboxylate
OPENEYE Name: (4S)-4-isopropenylcyclohexene-1-carboxylate
IUPAC Name: (4S)-4-prop-1-en-2-ylcyclohexene-1-carboxylate
SYSTEMATIC NAME: (4S)-4-prop-1-en-2-ylcyclohexene-1-carboxylate
MOLECULAR FORMULA: C10H13O2-
MOLECULAR WEIGHT: 165.20902
SMILES: CC(=C)[C@H]1CCC(=CC1)C(=O)[O-]
Structure:
CAS RN: 13073-35-3
CAS Name: (2S)-2-ammonio-4-(ethylthio)butanoate
OPENEYE Name: (2S)-2-azaniumyl-4-ethylsulfanyl-butanoate
IUPAC Name: (2S)-2-azaniumyl-4-ethylsulfanylbutanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-4-ethylsulfanyl-butanoate
MOLECULAR FORMULA: C6H13NO2S
MOLECULAR WEIGHT: 163.23792
SMILES: CCSCC[C@@H](C(=O)[O-])[NH3+]
Structure:
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