5-[3-methylbutanoyl(1-phenylethyl)amino]pentanoic acid

Systemtic Name: 5-[3-methylbutanoyl(1-phenylethyl)amino]pentanoic acid Openeye Name: 5-[3-methylbutanoyl(1-phenylethyl)amino]pentanoic acid CAS Name: 5-[(3-methyl-1-oxobutyl)-(1-phenylethyl)amino]pentanoic acid IUPAC Name: 5-[3-methylbutanoyl(1-phenylethyl)amino]pentanoic acid Traditional Name: 5-[isovaleryl(1-phenylethyl)amino]valeric acid Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CCCCC(=O)O)C(C)C1=CC=CC=C1

Isomeric SMILES

CC(C)CC(=O)N(CCCCC(=O)O)C(C)C1=CC=CC=C1

InChI

InChI=1S/C18H27NO3/c1-14(2)13-17(20)19(12-8-7-11-18(21)22)15(3)16-9-5-4-6-10-16/h4-6,9-10,14-15H,7-8,11-13H2,1-3H3,(H,21,22)