3-[[1-acetamido-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: 3-[[1-acetamido-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]-3-oxidanylidene-propanoate Openeye Name: 3-[[1-acetamido-2-(benzylamino)-2-oxo-ethyl]amino]-3-oxo-propanoate CAS Name: 3-[[1-acetamido-2-oxo-2-[(phenylmethyl)amino]ethyl]amino]-3-oxopropanoate IUPAC Name: 3-[[1-acetamido-2-(benzylamino)-2-oxoethyl]amino]-3-oxopropanoate Traditional Name: 3-[[1-acetamido-2-(benzylamino)-2-keto-ethyl]amino]-3-keto-propionate Formula: C14H16N3O5- MolecularWeight: 306.29394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O5/c1-9(18)16-13(17-11(19)7-12(20)21)14(22)15-8-10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,15,22)(H,16,18)(H,17,19)(H,20,21)/p-1