(2S)-3-(4-aminophenyl)-2-azanyl-propanoic acid hydrate

Systemtic Name: (2S)-3-(4-aminophenyl)-2-azanyl-propanoic acid hydrate Openeye Name: (2S)-2-amino-3-(4-aminophenyl)propanoic acid hydrate CAS Name: (2S)-2-amino-3-(4-aminophenyl)propanoic acid hydrate IUPAC Name: (2S)-2-amino-3-(4-aminophenyl)propanoic acid hydrate Traditional Name: (2S)-2-amino-3-(4-aminophenyl)propionic acid hydrate Formula: C9H14N2O3 MolecularWeight: 198.21906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)N)N.O

InChI

InChI=1S/C9H12N2O2.H2O/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,10-11H2,(H,12,13);1H2/t8-;/m0./s1