tert-butyl (4S)-1-methyl-2-oxidanylidene-3-[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]carbonyl-imidazolidine-4-carboxylate

Systemtic Name: tert-butyl (4S)-1-methyl-2-oxidanylidene-3-[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]carbonyl-imidazolidine-4-carboxylate Openeye Name: tert-butyl (4S)-3-[(2S)-1-benzylpyrrolidine-2-carbonyl]-1-methyl-2-oxo-imidazolidine-4-carboxylate CAS Name: (4S)-1-methyl-2-oxo-3-[oxo-[(2S)-1-(phenylmethyl)-2-pyrrolidinyl]methyl]-4-imidazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-3-[(2S)-1-benzylpyrrolidine-2-carbonyl]-1-methyl-2-oxoimidazolidine-4-carboxylate Traditional Name: (4S)-3-[(2S)-1-benzylprolyl]-2-keto-1-methyl-imidazolidine-4-carboxylic acid tert-butyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(C(=O)N1C(=O)C2CCCN2CC3=CC=CC=C3)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CN(C(=O)N1C(=O)[C@@H]2CCCN2CC3=CC=CC=C3)C

InChI

InChI=1S/C21H29N3O4/c1-21(2,3)28-19(26)17-14-22(4)20(27)24(17)18(25)16-11-8-12-23(16)13-15-9-6-5-7-10-15/h5-7,9-10,16-17H,8,11-14H2,1-4H3/t16-,17-/m0/s1