[(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [(1S)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [(2S)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [(1S)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H26N4O5 MolecularWeight: 378.42284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)NC(=O)NC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)NC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C18H26N4O5/c1-11(19-16(25)20-13-9-7-6-8-10-13)15(24)27-12(2)14(23)21-17(26)22-18(3,4)5/h6-12H,1-5H3,(H2,19,20,25)(H2,21,22,23,26)/t11-,12-/m0/s1