(2S)-2-azanyl-3-phenyl-propanoic acid; ethyl (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylate

Systemtic Name: (2S)-2-azanyl-3-phenyl-propanoic acid; ethyl (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylate Openeye Name: (2S)-2-amino-3-phenyl-propanoic acid; ethyl (2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-2-amino-3-phenylpropanoic acid; (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: (2S)-2-amino-3-phenylpropanoic acid; ethyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-2-amino-3-phenyl-propionic acid; (2S)-1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carboxylic acid ethyl ester Formula: C23H34N2O6 MolecularWeight: 434.52586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCC.C1=CC=C(C=C1)CC(C(=O)O)N

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCC.C1=CC=C(C=C1)C[C@@H](C(=O)O)N

InChI

InChI=1S/C14H23NO4.C9H11NO2/c1-5-14(3,4)11(16)12(17)15-9-7-8-10(15)13(18)19-6-2;10-8(9(11)12)6-7-4-2-1-3-5-7/h10H,5-9H2,1-4H3;1-5,8H,6,10H2,(H,11,12)/t10-;8-/m00/s1