4-[butyl-(3-ethoxy-3-oxidanylidene-propyl)amino]-4-oxidanylidene-3-(2-phenylethanoylamino)butanoic acid

Systemtic Name: 4-[butyl-(3-ethoxy-3-oxidanylidene-propyl)amino]-4-oxidanylidene-3-(2-phenylethanoylamino)butanoic acid Openeye Name: 4-[butyl-(3-ethoxy-3-oxo-propyl)amino]-4-oxo-3-[(2-phenylacetyl)amino]butanoic acid CAS Name: 4-[butyl-(3-ethoxy-3-oxopropyl)amino]-4-oxo-3-[(1-oxo-2-phenylethyl)amino]butanoic acid IUPAC Name: 4-[butyl-(3-ethoxy-3-oxopropyl)amino]-4-oxo-3-[(2-phenylacetyl)amino]butanoic acid Traditional Name: 4-[butyl-(3-ethoxy-3-keto-propyl)amino]-4-keto-3-[(2-phenylacetyl)amino]butyric acid Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCC(=O)OCC)C(=O)C(CC(=O)O)NC(=O)CC1=CC=CC=C1

Isomeric SMILES

CCCCN(CCC(=O)OCC)C(=O)C(CC(=O)O)NC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C21H30N2O6/c1-3-5-12-23(13-11-20(27)29-4-2)21(28)17(15-19(25)26)22-18(24)14-16-9-7-6-8-10-16/h6-10,17H,3-5,11-15H2,1-2H3,(H,22,24)(H,25,26)