2-azanyl-N-(2-azanyl-2-oxidanylidene-ethyl)-3-phenyl-propanamide; ethanoic acid

Systemtic Name: 2-azanyl-N-(2-azanyl-2-oxidanylidene-ethyl)-3-phenyl-propanamide; ethanoic acid Openeye Name: acetic acid; 2-amino-N-(2-amino-2-oxo-ethyl)-3-phenyl-propanamide CAS Name: acetic acid; 2-amino-N-(2-amino-2-oxoethyl)-3-phenylpropanamide IUPAC Name: acetic acid; 2-amino-N-(2-amino-2-oxoethyl)-3-phenylpropanamide Traditional Name: acetic acid; 2-amino-N-(2-amino-2-keto-ethyl)-3-phenyl-propionamide Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)CC(C(=O)NCC(=O)N)N

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)CC(C(=O)NCC(=O)N)N

InChI

InChI=1S/C11H15N3O2.C2H4O2/c12-9(11(16)14-7-10(13)15)6-8-4-2-1-3-5-8;1-2(3)4/h1-5,9H,6-7,12H2,(H2,13,15)(H,14,16);1H3,(H,3,4)