(2S)-4-(2-aminophenyl)-2-azanyl-4-oxidanylidene-butanoic acid hydrate

Systemtic Name: (2S)-4-(2-aminophenyl)-2-azanyl-4-oxidanylidene-butanoic acid hydrate Openeye Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxo-butanoic acid hydrate CAS Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid hydrate IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid hydrate Traditional Name: (2S)-2-amino-4-(2-aminophenyl)-4-keto-butyric acid hydrate Formula: C10H14N2O4 MolecularWeight: 226.22916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O3.H2O/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15;/h1-4,8H,5,11-12H2,(H,14,15);1H2/t8-;/m0./s1