(2S)-N-ethyl-2-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]propanamide

Systemtic Name: (2S)-N-ethyl-2-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]propanamide Openeye Name: (2S)-N-ethyl-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanamide CAS Name: (2S)-N-ethyl-2-[[1-oxo-3-(3-oxo-1,4-benzoxazin-4-yl)propyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanamide Traditional Name: (2S)-N-ethyl-2-[3-(3-keto-1,4-benzoxazin-4-yl)propanoylamino]propionamide Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)CCN1C(=O)COC2=CC=CC=C21

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)CCN1C(=O)COC2=CC=CC=C21

InChI

InChI=1S/C16H21N3O4/c1-3-17-16(22)11(2)18-14(20)8-9-19-12-6-4-5-7-13(12)23-10-15(19)21/h4-7,11H,3,8-10H2,1-2H3,(H,17,22)(H,18,20)/t11-/m0/s1