tert-butyl (2S)-2-azanyl-3-phenyl-propanoate; (2S)-pyrrolidine-2-carboxylic acid

Systemtic Name: tert-butyl (2S)-2-azanyl-3-phenyl-propanoate; (2S)-pyrrolidine-2-carboxylic acid Openeye Name: tert-butyl (2S)-2-amino-3-phenyl-propanoate; (2S)-pyrrolidine-2-carboxylic acid CAS Name: (2S)-2-amino-3-phenylpropanoic acid tert-butyl ester; (2S)-2-pyrrolidinecarboxylic acid IUPAC Name: tert-butyl (2S)-2-amino-3-phenylpropanoate; (2S)-pyrrolidine-2-carboxylic acid Traditional Name: (2S)-2-amino-3-phenyl-propionic acid tert-butyl ester; (2S)-proline Formula: C18H28N2O4 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N.C1CC(NC1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)N.C1C[C@H](NC1)C(=O)O

InChI

InChI=1S/C13H19NO2.C5H9NO2/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10;7-5(8)4-2-1-3-6-4/h4-8,11H,9,14H2,1-3H3;4,6H,1-3H2,(H,7,8)/t11-;4-/m00/s1