2-azanyl-2-methyl-3-(3-oxidanyl-4-pyrrol-1-yl-phenyl)propanoic acid hydrate

Systemtic Name: 2-azanyl-2-methyl-3-(3-oxidanyl-4-pyrrol-1-yl-phenyl)propanoic acid hydrate Openeye Name: 2-amino-3-(3-hydroxy-4-pyrrol-1-yl-phenyl)-2-methyl-propanoic acid hydrate CAS Name: 2-amino-3-[3-hydroxy-4-(1-pyrrolyl)phenyl]-2-methylpropanoic acid hydrate IUPAC Name: 2-amino-3-(3-hydroxy-4-pyrrol-1-ylphenyl)-2-methylpropanoic acid hydrate Traditional Name: 2-amino-3-(3-hydroxy-4-pyrrol-1-yl-phenyl)-2-methyl-propionic acid hydrate Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)N2C=CC=C2)O)(C(=O)O)N.O

Isomeric SMILES

CC(CC1=CC(=C(C=C1)N2C=CC=C2)O)(C(=O)O)N.O

InChI

InChI=1S/C14H16N2O3.H2O/c1-14(15,13(18)19)9-10-4-5-11(12(17)8-10)16-6-2-3-7-16;/h2-8,17H,9,15H2,1H3,(H,18,19);1H2