tert-butyl (4S)-1-methyl-3-[(2R)-2-methyl-3-(phenylmethoxycarbonylamino)propanoyl]-2-oxidanylidene-imidazolidine-4-carboxylate

Systemtic Name: tert-butyl (4S)-1-methyl-3-[(2R)-2-methyl-3-(phenylmethoxycarbonylamino)propanoyl]-2-oxidanylidene-imidazolidine-4-carboxylate Openeye Name: tert-butyl (4S)-3-[(2R)-3-(benzyloxycarbonylamino)-2-methyl-propanoyl]-1-methyl-2-oxo-imidazolidine-4-carboxylate CAS Name: (4S)-1-methyl-3-[(2R)-2-methyl-1-oxo-3-(phenylmethoxycarbonylamino)propyl]-2-oxo-4-imidazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-1-methyl-3-[(2R)-2-methyl-3-(phenylmethoxycarbonylamino)propanoyl]-2-oxoimidazolidine-4-carboxylate Traditional Name: (4S)-3-[(2R)-3-(benzyloxycarbonylamino)-2-methyl-propanoyl]-2-keto-1-methyl-imidazolidine-4-carboxylic acid tert-butyl ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)OCC1=CC=CC=C1)C(=O)N2C(CN(C2=O)C)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](CNC(=O)OCC1=CC=CC=C1)C(=O)N2[C@@H](CN(C2=O)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N3O6/c1-14(11-22-19(27)29-13-15-9-7-6-8-10-15)17(25)24-16(12-23(5)20(24)28)18(26)30-21(2,3)4/h6-10,14,16H,11-13H2,1-5H3,(H,22,27)/t14-,16+/m1/s1