2-(2-azanylhexanoylamino)-3-phenyl-propanoic acid hydrate

Systemtic Name: 2-(2-azanylhexanoylamino)-3-phenyl-propanoic acid hydrate Openeye Name: 2-(2-aminohexanoylamino)-3-phenyl-propanoic acid hydrate CAS Name: 2-[(2-amino-1-oxohexyl)amino]-3-phenylpropanoic acid hydrate IUPAC Name: 2-(2-aminohexanoylamino)-3-phenylpropanoic acid hydrate Traditional Name: 2-(2-aminohexanoylamino)-3-phenyl-propionic acid hydrate Formula: C15H24N2O4 MolecularWeight: 296.36206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N.O

Isomeric SMILES

CCCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N.O

InChI

InChI=1S/C15H22N2O3.H2O/c1-2-3-9-12(16)14(18)17-13(15(19)20)10-11-7-5-4-6-8-11;/h4-8,12-13H,2-3,9-10,16H2,1H3,(H,17,18)(H,19,20);1H2