4-[butyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 4-[butyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-4-[butyl-(2-ethoxy-2-oxo-ethyl)amino]-4-oxo-butanoic acid CAS Name: 4-[butyl-(2-ethoxy-2-oxoethyl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-[butyl-(2-ethoxy-2-oxoethyl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-4-[butyl-(2-ethoxy-2-keto-ethyl)amino]-4-keto-butyric acid Formula: C20H28N2O7 MolecularWeight: 408.44552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)OCC)C(=O)C(CC(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCN(CC(=O)OCC)C(=O)C(CC(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H28N2O7/c1-3-5-11-22(13-18(25)28-4-2)19(26)16(12-17(23)24)21-20(27)29-14-15-9-7-6-8-10-15/h6-10,16H,3-5,11-14H2,1-2H3,(H,21,27)(H,23,24)