2-azanyl-3-(1-oxidanylindol-3-yl)propanoic acid hydrate

Systemtic Name: 2-azanyl-3-(1-oxidanylindol-3-yl)propanoic acid hydrate Openeye Name: 2-amino-3-(1-hydroxyindol-3-yl)propanoic acid hydrate CAS Name: 2-amino-3-(1-hydroxy-3-indolyl)propanoic acid hydrate IUPAC Name: 2-amino-3-(1-hydroxyindol-3-yl)propanoic acid hydrate Traditional Name: 2-amino-3-(1-hydroxyindol-3-yl)propionic acid hydrate Formula: C11H14N2O4 MolecularWeight: 238.23986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2O)CC(C(=O)O)N.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2O)CC(C(=O)O)N.O

InChI

InChI=1S/C11H12N2O3.H2O/c12-9(11(14)15)5-7-6-13(16)10-4-2-1-3-8(7)10;/h1-4,6,9,16H,5,12H2,(H,14,15);1H2