(2S)-2-azanyl-3-(2-fluorophenyl)propanoic acid hydrate

Systemtic Name: (2S)-2-azanyl-3-(2-fluorophenyl)propanoic acid hydrate Openeye Name: (2S)-2-amino-3-(2-fluorophenyl)propanoic acid hydrate CAS Name: (2S)-2-amino-3-(2-fluorophenyl)propanoic acid hydrate IUPAC Name: (2S)-2-amino-3-(2-fluorophenyl)propanoic acid hydrate Traditional Name: (2S)-2-amino-3-(2-fluorophenyl)propionic acid hydrate Formula: C18H22F2N2O5 MolecularWeight: 384.374486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H10FNO2.H2O/c2*10-7-4-2-1-3-6(7)5-8(11)9(12)13;/h2*1-4,8H,5,11H2,(H,12,13);1H2/t2*8-;/m00./s1