2-azanyl-3-(1-ethanoyl-5-methoxy-indol-3-yl)propanoic acid hydrate

Systemtic Name: 2-azanyl-3-(1-ethanoyl-5-methoxy-indol-3-yl)propanoic acid hydrate Openeye Name: 3-(1-acetyl-5-methoxy-indol-3-yl)-2-amino-propanoic acid hydrate CAS Name: 3-(1-acetyl-5-methoxy-3-indolyl)-2-aminopropanoic acid hydrate IUPAC Name: 3-(1-acetyl-5-methoxyindol-3-yl)-2-aminopropanoic acid hydrate Traditional Name: 3-(1-acetyl-5-methoxy-indol-3-yl)-2-amino-propionic acid hydrate Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=C1C=CC(=C2)OC)CC(C(=O)O)N.O

Isomeric SMILES

CC(=O)N1C=C(C2=C1C=CC(=C2)OC)CC(C(=O)O)N.O

InChI

InChI=1S/C14H16N2O4.H2O/c1-8(17)16-7-9(5-12(15)14(18)19)11-6-10(20-2)3-4-13(11)16;/h3-4,6-7,12H,5,15H2,1-2H3,(H,18,19);1H2