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

Systemtic Name: 3-(5-acetyloxy-1H-indol-3-yl)-2-azanyl-propanoic acid hydrate Openeye Name: 3-(5-acetoxy-1H-indol-3-yl)-2-amino-propanoic acid hydrate CAS Name: 3-(5-acetyloxy-1H-indol-3-yl)-2-aminopropanoic acid hydrate IUPAC Name: 3-(5-acetyloxy-1H-indol-3-yl)-2-aminopropanoic acid hydrate Traditional Name: 3-(5-acetoxy-1H-indol-3-yl)-2-amino-propionic acid hydrate Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)NC=C2CC(C(=O)O)N.O

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)NC=C2CC(C(=O)O)N.O

InChI

InChI=1S/C13H14N2O4.H2O/c1-7(16)19-9-2-3-12-10(5-9)8(6-15-12)4-11(14)13(17)18;/h2-3,5-6,11,15H,4,14H2,1H3,(H,17,18);1H2