CAS RN: 623-82-5
CAS Name: (3R)-3-methylhexanedioate
OPENEYE Name: (3R)-3-methylhexanedioate
IUPAC Name: (3R)-3-methylhexanedioate
SYSTEMATIC NAME: (3R)-3-methylhexanedioate
MOLECULAR FORMULA: C7H10O4-2
MOLECULAR WEIGHT: 158.1519
SMILES: C[C@H](CCC(=O)[O-])CC(=O)[O-]
Structure:
CAS RN: 5445-29-4
CAS Name: (2S)-2-bromooctanoic acid ethyl ester
OPENEYE Name: ethyl (2S)-2-bromooctanoate
IUPAC Name: ethyl (2S)-2-bromooctanoate
SYSTEMATIC NAME: ethyl (2S)-2-bromanyloctanoate
MOLECULAR FORMULA: C10H19BrO2
MOLECULAR WEIGHT: 251.16066
SMILES: CCCCCC[C@@H](C(=O)OCC)Br
Structure:
CAS RN: 6240-90-0
CAS Name: (2R)-2-heptanamine
OPENEYE Name: (2R)-heptan-2-amine
IUPAC Name: (2R)-heptan-2-amine
SYSTEMATIC NAME: (2R)-heptan-2-amine
MOLECULAR FORMULA: C7H17N
MOLECULAR WEIGHT: 115.21658
SMILES: CCCCC[C@@H](C)N
Structure:
CAS RN: 96-20-8
CAS Name: [(2S)-1-hydroxybutan-2-yl]ammonium
OPENEYE Name: [(1S)-1-(hydroxymethyl)propyl]ammonium
IUPAC Name: [(2S)-1-hydroxybutan-2-yl]azanium
SYSTEMATIC NAME: [(2S)-1-oxidanylbutan-2-yl]azanium
MOLECULAR FORMULA: C4H12NO+
MOLECULAR WEIGHT: 90.14418
SMILES: CC[C@@H](CO)[NH3+]
Structure:
CAS RN: 1572-96-9
CAS Name: (2R)-3,3-dimethyl-2-butanol
OPENEYE Name: (2R)-3,3-dimethylbutan-2-ol
IUPAC Name: (2R)-3,3-dimethylbutan-2-ol
SYSTEMATIC NAME: (2R)-3,3-dimethylbutan-2-ol
MOLECULAR FORMULA: C6H14O
MOLECULAR WEIGHT: 102.17476
SMILES: C[C@H](C(C)(C)C)O
Structure:
CAS RN: 17257-71-5
CAS Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
OPENEYE Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoic acid
IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoic acid
MOLECULAR FORMULA: C10H9F3O3
MOLECULAR WEIGHT: 234.17187
SMILES: CO[C@@](C1=CC=CC=C1)(C(=O)O)C(F)(F)F
Structure:
CAS RN: 19342-01-9
CAS Name: dimethyl-[(1R)-1-phenylethyl]ammonium
OPENEYE Name: dimethyl-[(1R)-1-phenylethyl]ammonium
IUPAC Name: dimethyl-[(1R)-1-phenylethyl]azanium
SYSTEMATIC NAME: dimethyl-[(1R)-1-phenylethyl]azanium
MOLECULAR FORMULA: C10H16N+
MOLECULAR WEIGHT: 150.24074
SMILES: C[C@H](C1=CC=CC=C1)[NH+](C)C
Structure:
CAS RN: 19830-09-2
CAS Name: 4-acetyl-4-methylheptanedioate
OPENEYE Name: 4-acetyl-4-methyl-heptanedioate
IUPAC Name: 4-acetyl-4-methylheptanedioate
SYSTEMATIC NAME: 4-ethanoyl-4-methyl-heptanedioate
MOLECULAR FORMULA: C10H14O5-2
MOLECULAR WEIGHT: 214.21516
SMILES: CC(=O)C(C)(CCC(=O)[O-])CCC(=O)[O-]
Structure:
CAS RN: 2403-89-6
CAS Name: 1,2,2,6,6-pentamethyl-4-piperidin-1-iumol
OPENEYE Name: 1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol
IUPAC Name: 1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol
SYSTEMATIC NAME: 1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol
MOLECULAR FORMULA: C10H22NO+
MOLECULAR WEIGHT: 172.28778
SMILES: CC1(CC(CC([NH+]1C)(C)C)O)C
Structure:
CAS RN: 2245-30-9
CAS Name: (2R)-2-tert-butyloxirane
OPENEYE Name: (2R)-2-tert-butyloxirane
IUPAC Name: (2R)-2-tert-butyloxirane
SYSTEMATIC NAME: (2R)-2-tert-butyloxirane
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CC(C)(C)[C@@H]1CO1
Structure:
CAS RN: 1946-82-3
CAS Name: (2S)-2-acetamido-6-ammoniohexanoate
OPENEYE Name: (2S)-2-acetamido-6-azaniumyl-hexanoate
IUPAC Name: (2S)-2-acetamido-6-azaniumylhexanoate
SYSTEMATIC NAME: (2S)-2-acetamido-6-azaniumyl-hexanoate
MOLECULAR FORMULA: C8H16N2O3
MOLECULAR WEIGHT: 188.22424
SMILES: CC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]
Structure:
CAS RN: 5693-42-5
CAS Name: [(R)-phenyl(thiophen-2-yl)methyl]ammonium
OPENEYE Name: [(R)-phenyl(2-thienyl)methyl]ammonium
IUPAC Name: [(R)-phenyl(thiophen-2-yl)methyl]azanium
SYSTEMATIC NAME: [(R)-phenyl(thiophen-2-yl)methyl]azanium
MOLECULAR FORMULA: C11H12NS+
MOLECULAR WEIGHT: 190.28468
SMILES: C1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH3+]
Structure:
CAS RN: 62563-15-9
CAS Name: (2S,3S)-2,3-dihydroxybutanedioic acid dibutyl ester
OPENEYE Name: dibutyl (2S,3S)-2,3-dihydroxybutanedioate
IUPAC Name: dibutyl (2S,3S)-2,3-dihydroxybutanedioate
SYSTEMATIC NAME: dibutyl (2S,3S)-2,3-bis(oxidanyl)butanedioate
MOLECULAR FORMULA: C12H22O6
MOLECULAR WEIGHT: 262.29948
SMILES: CCCCOC(=O)[C@H]([C@@H](C(=O)OCCCC)O)O
Structure:
CAS RN: 50654-94-9
CAS Name: (2R)-3-(1H-imidazol-5-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoate
OPENEYE Name: (2R)-2-(tert-butoxycarbonylamino)-3-(1H-imidazol-5-yl)propanoate
IUPAC Name: (2R)-3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SYSTEMATIC NAME: (2R)-3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
MOLECULAR FORMULA: C11H16N3O4-
MOLECULAR WEIGHT: 254.26244
SMILES: CC(C)(C)OC(=O)N[C@H](CC1=CN=CN1)C(=O)[O-]
Structure:
CAS RN: 13726-85-7
CAS Name: (2S)-5-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoate
OPENEYE Name: (2S)-5-amino-2-(tert-butoxycarbonylamino)-5-oxo-pentanoate
IUPAC Name: (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
SYSTEMATIC NAME: (2S)-5-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C10H17N2O5-
MOLECULAR WEIGHT: 245.25238
SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)[O-]
Structure:
CAS RN: 47173-80-8
CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylmethoxypropanoate
OPENEYE Name: (2R)-3-benzyloxy-2-(tert-butoxycarbonylamino)propanoate
IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
SYSTEMATIC NAME: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-propanoate
MOLECULAR FORMULA: C15H20NO5-
MOLECULAR WEIGHT: 294.323
SMILES: CC(C)(C)OC(=O)N[C@H](COCC1=CC=CC=C1)C(=O)[O-]
Structure:
CAS RN: 114622-81-0
CAS Name: (2S)-5-(diaminomethylideneammonio)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoate
OPENEYE Name: (2S)-2-(tert-butoxycarbonylamino)-5-(diaminomethyleneammonio)pentanoate
IUPAC Name: (2S)-5-(diaminomethylideneazaniumyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SYSTEMATIC NAME: (2S)-5-[bis(azanyl)methylideneazaniumyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
MOLECULAR FORMULA: C11H22N4O4
MOLECULAR WEIGHT: 274.31678
SMILES: CC(C)(C)OC(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)[O-]
Structure:
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