2-(2-azanylethanoylamino)-3-(4-hydroxyphenyl)propanoic acid dihydrate

Systemtic Name: 2-(2-azanylethanoylamino)-3-(4-hydroxyphenyl)propanoic acid dihydrate Openeye Name: 2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid dihydrate CAS Name: 2-[(2-amino-1-oxoethyl)amino]-3-(4-hydroxyphenyl)propanoic acid dihydrate IUPAC Name: 2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid dihydrate Traditional Name: 2-(glycylamino)-3-(4-hydroxyphenyl)propionic acid dihydrate Formula: C11H18N2O6 MolecularWeight: 274.27042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CN)O.O.O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CN)O.O.O

InChI

InChI=1S/C11H14N2O4.2H2O/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7;;/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17);2*1H2