2-(6-methylheptan-2-ylcarbamoylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(6-methylheptan-2-ylcarbamoylamino)-3-phenyl-propanoic acid Openeye Name: 2-(1,5-dimethylhexylcarbamoylamino)-3-phenyl-propanoic acid CAS Name: 2-[[(6-methylheptan-2-ylamino)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-(6-methylheptan-2-ylcarbamoylamino)-3-phenylpropanoic acid Traditional Name: 2-(1,5-dimethylhexylcarbamoylamino)-3-phenyl-propionic acid Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3/c1-13(2)8-7-9-14(3)19-18(23)20-16(17(21)22)12-15-10-5-4-6-11-15/h4-6,10-11,13-14,16H,7-9,12H2,1-3H3,(H,21,22)(H2,19,20,23)