(2S)-2-azanyl-3-(5-fluoranyl-1H-indol-3-yl)propanoic acid hydrate

Systemtic Name: (2S)-2-azanyl-3-(5-fluoranyl-1H-indol-3-yl)propanoic acid hydrate Openeye Name: (2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid hydrate CAS Name: (2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid hydrate IUPAC Name: (2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid hydrate Traditional Name: (2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propionic acid hydrate Formula: C11H13FN2O3 MolecularWeight: 240.230923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)C(=CN2)CC(C(=O)O)N.O

Isomeric SMILES

C1=CC2=C(C=C1F)C(=CN2)C[C@@H](C(=O)O)N.O

InChI

InChI=1S/C11H11FN2O2.H2O/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16;/h1-2,4-5,9,14H,3,13H2,(H,15,16);1H2/t9-;/m0./s1