[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H22N4O5 MolecularWeight: 350.36968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O5/c1-9(2)12(13(21)20-15(17)23)25-14(22)10(3)18-16(24)19-11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H2,18,19,24)(H3,17,20,21,23)/t10-,12+/m0/s1