tert-butyl 2-(2-azanylpropanoyl)-3-ethoxy-2-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-azanylpropanoyl)-3-ethoxy-2-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(2-aminopropanoyl)-2-(benzyloxycarbonylamino)-3-ethoxy-pyrrolidine-1-carboxylate CAS Name: 2-(2-amino-1-oxopropyl)-3-ethoxy-2-(phenylmethoxycarbonylamino)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-aminopropanoyl)-3-ethoxy-2-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate Traditional Name: 2-alanyl-2-(benzyloxycarbonylamino)-3-ethoxy-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O6 MolecularWeight: 435.51392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCN(C1(C(=O)C(C)N)NC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1CCN(C1(C(=O)C(C)N)NC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H33N3O6/c1-6-29-17-12-13-25(20(28)31-21(3,4)5)22(17,18(26)15(2)23)24-19(27)30-14-16-10-8-7-9-11-16/h7-11,15,17H,6,12-14,23H2,1-5H3,(H,24,27)