2-azanyl-3-[4-(2-azanylethanoylamino)phenyl]propanoic acid; ethanoic acid

Systemtic Name: 2-azanyl-3-[4-(2-azanylethanoylamino)phenyl]propanoic acid; ethanoic acid Openeye Name: acetic acid; 2-amino-3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid CAS Name: acetic acid; 2-amino-3-[4-[(2-amino-1-oxoethyl)amino]phenyl]propanoic acid IUPAC Name: acetic acid; 2-amino-3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid Traditional Name: acetic acid; 2-amino-3-[4-(glycylamino)phenyl]propionic acid Formula: C13H19N3O5 MolecularWeight: 297.30706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=CC=C1CC(C(=O)O)N)NC(=O)CN

Isomeric SMILES

CC(=O)O.C1=CC(=CC=C1CC(C(=O)O)N)NC(=O)CN

InChI

InChI=1S/C11H15N3O3.C2H4O2/c12-6-10(15)14-8-3-1-7(2-4-8)5-9(13)11(16)17;1-2(3)4/h1-4,9H,5-6,12-13H2,(H,14,15)(H,16,17);1H3,(H,3,4)