2-[(2-azanyl-3-phenyl-propanoyl)amino]ethanoic acid hydrate

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)amino]ethanoic acid hydrate Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)amino]acetic acid hydrate CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]acetic acid hydrate IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)amino]acetic acid hydrate Traditional Name: 2-(phenylalanylamino)acetic acid hydrate Formula: C11H16N2O4 MolecularWeight: 240.25574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O3.H2O/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8;/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15);1H2