[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate CAS Name: 2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]acetic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate Traditional Name: 2-[[(E)-3-phenylacryloyl]amino]acetic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5/c1-11(2)15(16(23)20-17(18)24)25-14(22)10-19-13(21)9-8-12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3,(H,19,21)(H3,18,20,23,24)/b9-8+/t15-/m1/s1