(2S)-2-[[3-ethoxy-2-(naphthalen-1-ylmethyl)-3-oxidanylidene-propanoyl]amino]hexanoic acid

Systemtic Name: (2S)-2-[[3-ethoxy-2-(naphthalen-1-ylmethyl)-3-oxidanylidene-propanoyl]amino]hexanoic acid Openeye Name: (2S)-2-[[3-ethoxy-2-(1-naphthylmethyl)-3-oxo-propanoyl]amino]hexanoic acid CAS Name: (2S)-2-[[3-ethoxy-2-(1-naphthalenylmethyl)-1,3-dioxopropyl]amino]hexanoic acid IUPAC Name: (2S)-2-[[3-ethoxy-2-(naphthalen-1-ylmethyl)-3-oxopropanoyl]amino]hexanoic acid Traditional Name: (2S)-2-[[3-ethoxy-3-keto-2-(1-naphthylmethyl)propanoyl]amino]hexanoic acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC2=CC=CC=C21)C(=O)OCC

Isomeric SMILES

CCCC[C@@H](C(=O)O)NC(=O)C(CC1=CC=CC2=CC=CC=C21)C(=O)OCC

InChI

InChI=1S/C22H27NO5/c1-3-5-13-19(21(25)26)23-20(24)18(22(27)28-4-2)14-16-11-8-10-15-9-6-7-12-17(15)16/h6-12,18-19H,3-5,13-14H2,1-2H3,(H,23,24)(H,25,26)/t18?,19-/m0/s1