[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C(CC1=CC=CC=C1)NC(=O)N

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N

InChI

InChI=1S/C17H25N3O4/c1-11(14(21)20-17(2,3)4)24-15(22)13(19-16(18)23)10-12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,20,21)(H3,18,19,23)/t11-,13+/m1/s1