methyl (2S)-3-methyl-2-[5-(2-oxidanylidene-4-phenyl-azetidin-1-yl)pentanoylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[5-(2-oxidanylidene-4-phenyl-azetidin-1-yl)pentanoylamino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[5-(2-oxo-4-phenyl-azetidin-1-yl)pentanoylamino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-5-(2-oxo-4-phenyl-1-azetidinyl)pentyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[5-(2-oxo-4-phenylazetidin-1-yl)pentanoylamino]butanoate Traditional Name: (2S)-2-[5-(2-keto-4-phenyl-azetidin-1-yl)pentanoylamino]-3-methyl-butyric acid methyl ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CCCCN1C(CC1=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)CCCCN1C(CC1=O)C2=CC=CC=C2

InChI

InChI=1S/C20H28N2O4/c1-14(2)19(20(25)26-3)21-17(23)11-7-8-12-22-16(13-18(22)24)15-9-5-4-6-10-15/h4-6,9-10,14,16,19H,7-8,11-13H2,1-3H3,(H,21,23)/t16?,19-/m0/s1