3-[methyl-[2-(methylamino)-4-oxidanylidene-3-propan-2-yl-hexanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 3-[methyl-[2-(methylamino)-4-oxidanylidene-3-propan-2-yl-hexanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 3-[[3-isopropyl-2-(methylamino)-4-oxo-hexanoyl]-methyl-amino]-3-phenyl-propanoic acid CAS Name: 3-[methyl-[2-(methylamino)-1,4-dioxo-3-propan-2-ylhexyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[methyl-[2-(methylamino)-4-oxo-3-propan-2-ylhexanoyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[3-isopropyl-4-keto-2-(methylamino)hexanoyl]-methyl-amino]-3-phenyl-propionic acid Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(C)C)C(C(=O)N(C)C(CC(=O)O)C1=CC=CC=C1)NC

Isomeric SMILES

CCC(=O)C(C(C)C)C(C(=O)N(C)C(CC(=O)O)C1=CC=CC=C1)NC

InChI

InChI=1S/C20H30N2O4/c1-6-16(23)18(13(2)3)19(21-4)20(26)22(5)15(12-17(24)25)14-10-8-7-9-11-14/h7-11,13,15,18-19,21H,6,12H2,1-5H3,(H,24,25)