2-[[1-acetamido-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]ethanoate

Systemtic Name: 2-[[1-acetamido-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]ethanoate Openeye Name: 2-[[1-acetamido-2-(benzylamino)-2-oxo-ethyl]amino]acetate CAS Name: 2-[[1-acetamido-2-oxo-2-[(phenylmethyl)amino]ethyl]amino]acetate IUPAC Name: 2-[[1-acetamido-2-(benzylamino)-2-oxoethyl]amino]acetate Traditional Name: 2-[[1-acetamido-2-(benzylamino)-2-keto-ethyl]amino]acetate Formula: C13H16N3O4- MolecularWeight: 278.28384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)NCC1=CC=CC=C1)NCC(=O)[O-]

Isomeric SMILES

CC(=O)NC(C(=O)NCC1=CC=CC=C1)NCC(=O)[O-]

InChI

InChI=1S/C13H17N3O4/c1-9(17)16-12(14-8-11(18)19)13(20)15-7-10-5-3-2-4-6-10/h2-6,12,14H,7-8H2,1H3,(H,15,20)(H,16,17)(H,18,19)/p-1