2-(heptan-2-ylcarbamoylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(heptan-2-ylcarbamoylamino)-3-phenyl-propanoic acid Openeye Name: 2-(1-methylhexylcarbamoylamino)-3-phenyl-propanoic acid CAS Name: 2-[[(heptan-2-ylamino)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-(heptan-2-ylcarbamoylamino)-3-phenylpropanoic acid Traditional Name: 2-(1-methylhexylcarbamoylamino)-3-phenyl-propionic acid Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCC(C)NC(=O)NC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C17H26N2O3/c1-3-4-6-9-13(2)18-17(22)19-15(16(20)21)12-14-10-7-5-8-11-14/h5,7-8,10-11,13,15H,3-4,6,9,12H2,1-2H3,(H,20,21)(H2,18,19,22)